data_2bn5_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 2bn5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.614 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.566 0.222 . . . . 0.0 111.578 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.477 ' OG ' HD22 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.462 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.569 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.582 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.477 HD22 ' OG ' ' A' ' 655' ' ' SER . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.632 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.478 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.527 ' CD2' HD11 ' A' ' 674' ' ' ILE . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.735 ' HA ' HG13 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.735 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.633 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.604 0.24 . . . . 0.0 111.538 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 674' ' ' ILE . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.582 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.602 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 111.501 0.185 . . . . 0.0 111.501 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.46 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.452 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.491 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' A' ' 674' ' ' ILE . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.608 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.628 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.443 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.46 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.532 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.591 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.479 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.577 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.591 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.661 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.996 0.426 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.61 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 663' ' ' ARG . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.502 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.61 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.62 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.469 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.493 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.605 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.583 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.57 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.605 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.607 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.544 ' HB2' ' CD1' ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.442 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.418 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HA ' HG13 ' A' ' 668' ' ' ILE . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.587 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.588 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.556 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.482 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.588 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.409 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.61 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.44 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.424 HD11 ' CB ' ' A' ' 655' ' ' SER . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.623 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.458 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 655' ' ' SER . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.623 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.525 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.524 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.463 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 655' ' ' SER . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.489 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.579 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.444 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.695 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.434 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.554 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.553 ' O ' ' N ' ' A' ' 665' ' ' VAL . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.558 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 661' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.558 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.71 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.609 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.565 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.532 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.481 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.589 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.589 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.676 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.544 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.717 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.523 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.544 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.523 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.455 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.603 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 662' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.485 HD11 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm . . . . . 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.62 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.514 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.414 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.524 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.556 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.742 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.742 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.624 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.592 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.753 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.476 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.753 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.418 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.694 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.541 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.525 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.596 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.661 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.711 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.453 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp . . . . . 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.578 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.537 ' HB2' ' O ' ' A' ' 674' ' ' ILE . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.605 ' O ' ' N ' ' A' ' 665' ' ' VAL . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.605 ' N ' ' O ' ' A' ' 661' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.609 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.437 ' CD1' ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.519 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.459 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.609 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.609 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.737 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.46 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.568 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.603 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.987 0.423 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' THR . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.498 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.529 ' CD2' HD13 ' A' ' 674' ' ' ILE . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.774 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.774 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.72 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.414 ' N ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.518 ' N ' ' CD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.515 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.5 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.533 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.608 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.493 HD11 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.602 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.456 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 655' ' ' SER . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.466 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.587 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.601 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.584 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 656' ' ' ALA . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.701 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.427 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.53 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.516 ' O ' ' CG1' ' A' ' 665' ' ' VAL . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.582 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.768 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.582 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.613 0.244 . . . . 0.0 111.595 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . 0.514 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.679 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.566 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.57 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.655 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.665 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.679 HG13 ' HA ' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 656' ' ' ALA . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.512 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.518 ' O ' ' CG2' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.497 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.445 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.583 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.723 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.676 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 671' ' ' ALA . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 654' ' ' TYR . . . . . 0.566 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 110.688 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 655' ' ' SER . . . . . 0.625 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.566 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 659' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 663' ' ' ARG . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 661' ' ' TYR . . . . . 0.457 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 662' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 674' ' ' ILE . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.662 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 665' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 668' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 674' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 671' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 678' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 679' ' ' LYS . . . . . 0.517 ' N ' ' CD2' ' A' ' 678' ' ' LEU . 19.7 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -175.05 77.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.98 74.18 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.614 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -116.75 -19.62 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.578 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.477 ' OG ' HD22 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.677 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.569 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.582 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.477 HD22 ' OG ' ' A' ' 655' ' ' SER . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.74 -20.25 47.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -49.49 94.68 0.01 OUTLIER 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -133.15 35.35 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -99.81 31.99 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.611 0.243 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.6 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.0 111.99 3.0 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.488 2.125 . . . . 0.0 112.226 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.36 174.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.9 97.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -175.03 171.07 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -89.71 175.81 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -105.55 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 15.0 ttm -175.0 80.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.494 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 15.7 t80 -175.84 75.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 25.0 m -101.79 -88.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.576 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.5 t -153.24 52.69 0.88 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.576 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -60.19 151.44 73.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.228 . . . . 0.0 111.817 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.63 139.7 91.8 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.889 1.726 . . . . 0.0 110.739 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.472 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 42.4 Cg_endo -70.22 137.54 34.33 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 121.962 1.775 . . . . 0.0 113.998 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.677 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 63.5 Cg_endo -76.25 -56.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.218 2.612 . . . . 0.0 113.338 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.513 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.67 -162.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.1 OUTLIER -178.79 31.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.071 0.462 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.79 -170.19 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.916 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -174.84 79.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.101 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.91 -76.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 2.1 t70 56.93 72.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.632 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -131.26 -20.59 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.494 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.517 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.676 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.527 ' CD2' HD11 ' A' ' 674' ' ' ILE . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.735 ' HA ' HG13 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.735 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -56.54 -22.52 33.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.67 93.1 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -111.82 36.81 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -98.59 33.99 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.863 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.427 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 2.7 Cg_endo -42.31 -57.27 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.971 2.447 . . . . 0.0 112.777 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 47.4 Cg_endo -68.36 154.58 71.69 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.299 2.0 . . . . 0.0 112.273 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.07 155.17 65.56 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.567 2.178 . . . . 0.0 112.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -82.72 127.27 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -79.92 79.66 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -105.75 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.9 -75.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.6 ttm -177.27 -59.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.489 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 3.3 t80 68.71 -67.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.8 m 55.45 -164.65 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.9 55.89 2.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.014 0.435 . . . . 0.0 111.198 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.04 151.76 70.01 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.146 2.564 . . . . 0.0 111.983 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.97 139.88 91.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.908 1.739 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.475 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 41.8 Cg_endo -70.1 137.75 35.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.038 1.826 . . . . 0.0 114.207 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.676 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 61.2 Cg_endo -76.08 -58.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.162 2.575 . . . . 0.0 113.377 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.48 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.83 -160.15 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.67 37.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.85 160.91 14.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.55 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 60.01 -170.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.455 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.23 -69.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 43.48 72.22 0.2 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.412 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.633 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -128.42 -23.0 3.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.538 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.446 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.816 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.506 ' CD2' HD11 ' A' ' 674' ' ' ILE . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.582 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 680' ' ' ASN . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -60.01 -17.15 36.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 677' ' ' THR . 1.6 p-10 -40.08 130.21 2.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -167.98 33.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.79 34.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.456 ' HB2' ' HD3' ' B' ' 406' ' ' PRO . 9.0 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' B' ' 405' ' ' ARG . 88.1 Cg_endo -81.75 112.62 2.41 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.328 2.019 . . . . 0.0 112.427 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.03 155.38 8.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.424 2.083 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 169.39 19.54 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.62 -177.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -134.62 -47.01 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -96.49 173.45 7.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -153.86 -69.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -108.58 159.52 16.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.478 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 4.4 t80 -156.63 -59.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.1 p 53.52 -158.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.795 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.428 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.8 t -132.88 63.41 67.1 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 120.902 0.382 . . . . 0.0 111.547 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 22.7 Cg_exo -64.04 151.92 83.2 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.006 2.471 . . . . 0.0 111.669 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.9 139.65 91.1 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 121.827 1.685 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.0 Cg_endo -70.19 137.59 34.55 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 121.944 1.763 . . . . 0.0 114.186 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.816 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 5.9 Cg_exo -76.43 -66.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.445 2.763 . . . . 0.0 112.636 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -88.08 -160.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.4 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -177.09 37.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.977 0.417 . . . . 0.0 110.508 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -129.33 -139.74 4.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -88.49 -171.9 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.557 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -173.49 40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.56 75.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.602 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -117.97 -21.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.501 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.46 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.452 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.491 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.825 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.505 ' CD2' HD11 ' A' ' 674' ' ' ILE . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.608 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -56.07 -22.14 26.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -51.61 128.47 23.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -167.18 33.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -154.06 32.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.688 0.28 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 105.76 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.411 ' HB3' ' CE1' ' B' ' 410' ' ' HIS . 74.4 Cg_exo -51.05 105.97 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.21 2.65 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -148.8 175.18 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' B' ' 407' ' ' PRO . 21.0 m-70 -149.24 112.91 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -152.54 31.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.59 109.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 30.7 mtp -144.49 172.3 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 6.2 t80 -60.87 -57.12 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 2.6 t 54.09 -158.54 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.706 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 12.3 p -132.62 61.09 54.77 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.598 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.2 Cg_exo -59.66 152.24 64.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.04 2.494 . . . . 0.0 111.86 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.63 139.91 91.75 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.799 1.666 . . . . 0.0 110.433 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.6 Cg_exo -67.73 137.19 41.31 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 121.939 1.76 . . . . 0.0 114.012 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.825 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 6.0 Cg_exo -76.68 -72.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.495 2.796 . . . . 0.0 113.165 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.534 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -85.14 -161.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.422 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -177.16 37.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.24 -119.3 2.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -62.27 84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.481 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -79.13 -68.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.96 72.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.628 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.3 -22.53 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.443 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.46 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.593 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.532 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.595 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.595 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -55.73 -22.38 23.53 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.4 m-80 -51.44 93.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 32.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -171.42 35.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.884 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.672 0.273 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.68 105.7 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.604 2.202 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.88 159.34 53.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.478 2.119 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 171.38 14.85 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.569 2.179 . . . . 0.0 112.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.24 -171.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -93.2 100.85 13.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -137.17 147.29 45.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -132.91 146.81 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.19 100.06 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.492 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 33.1 t80 -155.33 54.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -60.36 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 10.9 p -116.08 58.0 1.53 Allowed Pre-proline 0 CA--C 1.533 0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.341 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.01 152.28 66.07 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.198 2.599 . . . . 0.0 111.907 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.67 139.96 91.94 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.828 1.685 . . . . 0.0 110.736 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 23.4 Cg_exo -65.73 137.26 49.02 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.937 1.758 . . . . 0.0 113.812 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 46.4 Cg_endo -76.88 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.047 2.498 . . . . 0.0 113.541 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.521 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -82.55 -162.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.547 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -177.32 37.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -100.26 -117.64 4.1 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.11 96.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -86.9 -63.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.0 t0 57.07 75.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.591 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.87 -9.14 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.947 -179.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.538 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.479 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.601 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.588 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.577 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.591 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.591 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.56 -23.86 18.55 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -48.08 -29.5 3.63 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 34.8 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -123.88 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.734 0.302 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.432 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 29.5 Cg_exo -60.59 -47.5 13.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.593 2.195 . . . . 0.0 113.006 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.504 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 47.8 Cg_exo -53.53 -53.5 6.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.964 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . 0.504 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 55.8 Cg_endo -69.7 170.32 16.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.091 1.861 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.56 78.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -155.29 81.21 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.84 104.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -62.54 141.6 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.7 ttt -63.21 -43.9 96.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.478 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -160.85 38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.9 t 56.68 -164.89 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.78 58.79 1.99 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.228 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.88 152.37 64.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.099 2.533 . . . . 0.0 111.545 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 12.8 Cg_endo -57.52 139.73 91.08 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 121.7 1.6 . . . . 0.0 110.566 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.3 Cg_exo -70.36 137.63 34.12 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 121.956 1.77 . . . . 0.0 113.778 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.581 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.1 Cg_endo -76.59 -65.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.989 2.459 . . . . 0.0 113.53 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.514 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.05 -163.63 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.5 tp -177.21 37.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.729 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -63.4 -168.21 1.07 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -155.01 34.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -111.16 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.67 108.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.433 . . . . 0.0 110.616 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.661 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -150.75 63.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.782 -179.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.61 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.661 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 663' ' ' ARG . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.803 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.512 ' CZ ' ' CE1' ' B' ' 414' ' ' PHE . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.544 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.61 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -55.66 -23.0 25.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -48.35 -76.94 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 52.94 31.72 11.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 61.32 36.93 17.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 80.7 Cg_exo -46.75 -44.08 22.49 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.588 2.192 . . . . 0.0 113.333 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 21.3 Cg_exo -66.34 110.08 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.425 2.083 . . . . 0.0 112.188 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.58 -32.16 19.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.421 2.08 . . . . 0.0 112.289 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -130.82 175.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 16.9 m80 60.27 82.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.55 174.24 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.36 162.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 ttt -95.31 -63.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.521 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 6.9 t80 68.72 -67.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 -163.62 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 8.0 t -117.92 55.96 2.17 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.9 151.56 84.65 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.95 2.433 . . . . 0.0 112.011 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -58.42 139.79 91.99 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.036 1.824 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 41.4 Cg_endo -70.07 138.12 36.11 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.144 1.896 . . . . 0.0 113.937 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.803 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.8 Cg_exo -76.04 -66.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.298 2.666 . . . . 0.0 112.79 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -89.16 -161.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.02 37.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.682 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -66.66 77.1 0.14 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.601 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -169.73 34.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.32 -75.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.74 71.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.62 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.21 -18.78 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.547 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.469 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.605 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.605 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.583 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.57 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.605 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -21.45 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -51.7 127.68 21.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.07 31.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -126.71 35.97 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.846 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 31.9 Cg_exo -57.3 -45.74 32.81 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.54 2.16 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 67.5 Cg_exo -51.18 154.68 7.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.436 2.09 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.96 178.35 4.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.661 2.241 . . . . 0.0 112.264 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -171.96 -69.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -111.61 154.35 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.33 -175.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -175.3 76.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -109.78 -75.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.525 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 26.6 t80 59.15 58.02 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' SER . . . . . 0.42 ' C ' ' HD3' ' B' ' 417' ' ' PRO . 0.7 OUTLIER -62.99 -144.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.505 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 10.2 t -128.84 55.99 20.95 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 32.0 Cg_exo -59.86 151.9 67.84 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.663 2.242 . . . . 0.0 111.668 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.87 139.94 92.07 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 121.778 1.652 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 19.7 Cg_endo -60.3 137.48 74.99 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.089 1.859 . . . . 0.0 113.71 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.605 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 64.2 Cg_endo -76.22 -56.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.611 . . . . 0.0 113.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.508 HD12 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -95.23 -168.69 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.443 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.8 tp -179.48 38.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.729 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -75.64 71.15 1.89 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.586 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.74 35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.61 -75.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.46 72.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.607 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.66 -12.91 3.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.676 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.544 ' HB2' ' CD1' ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.442 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.588 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.661 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.587 ' HA ' HG13 ' A' ' 668' ' ' ILE . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.489 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.587 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.588 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.98 -24.47 16.85 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.8 m120 -48.15 95.14 0.01 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.225 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -115.88 32.31 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -169.38 70.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.938 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' B' ' 406' ' ' PRO . 2.1 tmt_? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 405' ' ' ARG . 3.8 Cg_exo -41.85 -57.01 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.769 2.313 . . . . 0.0 112.971 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.453 ' HD3' ' HG2' ' B' ' 406' ' ' PRO . 99.3 Cg_exo -40.13 154.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.678 2.252 . . . . 0.0 112.76 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.55 -45.55 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.64 2.226 . . . . 0.0 112.26 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 410' ' ' HIS . . . 64.13 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' B' ' 409' ' ' ALA . 2.0 m-70 -174.3 79.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' B' ' 410' ' ' HIS . 6.1 m170 -166.82 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.75 162.46 35.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -176.67 96.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.512 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 15.3 t80 -176.49 70.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 74.4 p -90.24 -81.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.534 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 10.1 p -166.01 55.9 0.39 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.412 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.9 Cg_exo -59.91 151.63 70.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.821 2.347 . . . . 0.0 111.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.25 139.92 92.35 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.977 1.784 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.473 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 40.9 Cg_endo -69.86 137.53 35.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 121.951 1.767 . . . . 0.0 114.073 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.661 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 64.1 Cg_endo -76.31 -57.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.325 2.683 . . . . 0.0 113.333 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.504 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -98.97 -162.99 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 8.6 tp -178.69 31.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.312 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.74 -99.12 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.889 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 60.5 92.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.37 80.91 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.29 . . . . 0.0 111.057 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.88 74.4 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.556 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -117.41 -11.48 10.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.552 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.542 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.517 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.653 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.588 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.409 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.61 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.44 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.424 HD11 ' CB ' ' A' ' 655' ' ' SER . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -55.71 -22.42 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.37 125.12 11.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -141.06 35.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.69 35.42 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.893 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.72 0.295 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.59 105.85 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.602 2.201 . . . . 0.0 112.393 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.74 105.82 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.53 160.69 3.45 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.218 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -142.67 -72.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 64.17 -79.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -150.05 106.03 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.48 147.16 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 28.9 mtt -127.88 34.1 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.509 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 22.1 t80 60.57 71.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 11.2 t -91.79 -81.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.553 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 11.3 p -166.44 55.97 0.37 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 111.36 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.553 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 24.1 Cg_exo -63.06 151.44 84.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.809 2.339 . . . . 0.0 111.867 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.27 139.7 91.52 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 121.842 1.694 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.5 Cg_endo -70.25 137.56 34.29 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 121.94 1.76 . . . . 0.0 113.872 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.653 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.2 Cg_exo -76.67 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.353 2.702 . . . . 0.0 112.802 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.544 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -87.13 -168.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.462 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.5 OUTLIER 179.38 32.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.366 -179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.82 -99.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.959 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 60.47 160.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.528 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -142.1 -69.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.9 t70 59.22 36.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -75.53 -7.69 54.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.768 179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.623 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.458 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.409 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 655' ' ' SER . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.694 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.616 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.591 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.623 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -54.26 -24.82 20.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -53.3 96.68 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -163.67 34.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -133.69 32.82 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB3' ' HD2' ' B' ' 407' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.468 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 22.0 Cg_exo -63.21 -50.31 3.8 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.718 2.279 . . . . 0.0 113.705 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.538 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 31.1 Cg_exo -57.16 -50.78 10.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.149 1.899 . . . . 0.0 112.853 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 81.3 Cg_exo -44.09 94.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.489 2.126 . . . . 0.0 112.577 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -175.25 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.9 -64.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 68.28 -69.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.55 31.21 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 mtt 59.71 30.64 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.512 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 14.9 t80 59.43 76.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 12.8 t -104.66 -84.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.579 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -157.13 52.05 0.56 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-O 120.667 0.27 . . . . 0.0 111.493 179.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 34.3 Cg_exo -59.97 151.56 71.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.336 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.14 139.28 89.89 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.599 1.533 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.478 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 44.2 Cg_endo -70.54 137.56 33.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.009 1.806 . . . . 0.0 114.138 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.694 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 68.4 Cg_endo -76.14 -54.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.047 2.498 . . . . 0.0 112.941 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -102.47 -162.1 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 1.9 tp -177.37 37.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.955 0.407 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.48 60.51 4.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.533 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.96 91.54 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.481 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -96.1 81.1 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.74 74.61 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.525 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -116.23 -12.02 11.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.603 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.524 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.463 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.519 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 655' ' ' SER . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.626 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.579 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.444 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.583 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -55.75 -22.58 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.05 119.58 4.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -166.83 33.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.1 32.07 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.967 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.477 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.496 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 38.8 Cg_exo -58.89 -49.39 11.53 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.235 1.957 . . . . 0.0 112.581 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 88.8 Cg_exo -46.76 104.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.371 2.047 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.84 158.17 57.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.457 2.105 . . . . 0.0 112.262 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -63.27 150.64 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -131.89 -179.44 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -149.2 163.17 38.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 60.6 159.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.76 -34.69 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.482 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 2.5 t80 69.47 -64.86 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 1.3 m 59.5 -156.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.569 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.473 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 11.4 p -132.39 59.34 43.01 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 111.714 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.7 Cg_exo -59.75 152.39 63.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.977 2.451 . . . . 0.0 111.754 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -57.74 139.85 91.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.783 1.655 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.5 Cg_exo -67.46 136.91 41.28 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.87 1.714 . . . . 0.0 114.0 -177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.626 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 47.8 Cg_endo -76.94 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.214 2.61 . . . . 0.0 113.47 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.52 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -80.85 -161.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -176.9 36.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.904 0.383 . . . . 0.0 110.633 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -108.33 133.41 11.64 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.57 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.7 94.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.486 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.13 -69.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 54.22 84.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.513 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -139.02 -5.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.045 -179.615 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.695 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.434 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.513 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.554 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.687 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.558 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 661' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.558 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.71 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.71 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.44 -23.81 27.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -52.54 92.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.16 36.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -148.2 34.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.683 0.278 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 160.64 48.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.585 2.19 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 155.23 9.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.603 2.202 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.74 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.562 2.175 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -157.75 88.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.56 33.71 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 64.18 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -84.6 171.99 11.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 32.8 mtp -104.66 -46.94 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.686 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 1.2 t80 60.45 26.72 16.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 54.2 p -76.41 -150.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.93 57.13 1.35 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.22 151.92 66.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.01 2.474 . . . . 0.0 111.668 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.96 139.2 89.54 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.587 1.525 . . . . 0.0 110.55 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 44.4 Cg_endo -70.55 137.3 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.005 1.803 . . . . 0.0 114.54 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.687 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 66.1 Cg_endo -76.64 -55.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.27 2.647 . . . . 0.0 113.141 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.515 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -95.59 -168.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.447 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp -179.45 38.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -94.4 -172.47 38.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.43 -178.24 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.49 -67.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 t70 56.85 72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.609 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.52 -12.6 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.753 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.565 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.532 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.769 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.589 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.589 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.676 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -56.66 -20.61 22.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -47.56 113.41 0.7 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -153.03 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -101.06 35.15 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.561 0.219 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.58 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.546 2.164 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 161.52 45.66 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.483 2.122 . . . . 0.0 112.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.08 122.89 9.47 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.464 2.109 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -132.95 112.67 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -106.4 -69.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -131.9 108.53 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -176.64 102.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 46.0 mtp -134.67 -61.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.592 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 13.4 t80 -138.35 30.04 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -81.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.428 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 7.2 p -164.14 53.03 0.33 Allowed Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 20.2 Cg_endo -59.81 152.2 65.39 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.156 2.571 . . . . 0.0 111.886 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 37.8 Cg_exo -57.62 139.74 91.18 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 121.76 1.64 . . . . 0.0 110.755 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 13.8 Cg_exo -70.18 137.39 34.11 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.044 1.829 . . . . 0.0 113.975 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.769 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.7 Cg_exo -76.21 -71.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.427 2.751 . . . . 0.0 113.143 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -84.34 -164.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.521 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.3 OUTLIER -177.54 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 -179.727 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -116.37 -116.22 2.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.51 -176.89 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 64.69 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.88 34.19 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.544 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -79.12 -9.25 59.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.657 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.717 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.523 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.544 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.523 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.538 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.603 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 662' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.756 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.485 HD11 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -54.27 -24.49 19.06 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -50.24 94.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.003 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.6 33.15 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.54 35.42 20.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.981 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.732 0.301 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.449 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 32.5 Cg_exo -56.88 -47.15 24.64 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.574 2.183 . . . . 0.0 112.554 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 97.7 Cg_endo -79.79 156.25 24.03 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.373 2.049 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 135.19 29.36 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -151.49 -73.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 60.51 158.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -164.35 -66.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -144.19 106.56 4.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ttp -176.45 -52.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.633 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -104.95 -74.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t 45.17 -157.23 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.08 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.521 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.7 t -133.31 55.95 18.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.566 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -59.92 151.79 69.05 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 111.801 179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -58.26 139.92 92.36 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 121.853 1.702 . . . . 0.0 110.656 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 36.6 Cg_endo -67.93 137.54 41.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.991 1.794 . . . . 0.0 113.844 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.583 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.97 -57.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.328 2.685 . . . . 0.0 112.763 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.518 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -87.98 -170.94 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.268 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.461 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -179.49 38.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.64 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -90.2 -121.18 2.22 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 60.44 97.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.61 -75.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 56.73 71.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.073 0.463 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.62 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.43 -19.63 2.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.56 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.514 ' HA ' HG21 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.414 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.556 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.742 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.742 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.624 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 671' ' ' ALA . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 675' ' ' GLU . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -57.08 -21.92 35.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -49.64 -30.01 8.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 33.79 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -98.86 34.03 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.746 0.308 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 154.74 66.42 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 156.29 7.84 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.536 2.158 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.15 179.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.86 160.25 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -146.13 177.36 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -176.53 121.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.51 36.03 20.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.92 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.514 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -170.39 165.88 8.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 14.3 t -71.38 -84.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.695 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.487 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 11.6 p -175.69 59.58 0.19 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.456 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.5 Cg_exo -59.94 151.87 68.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.882 2.388 . . . . 0.0 111.911 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 15.3 Cg_endo -58.15 139.97 92.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.969 1.78 . . . . 0.0 110.528 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 27.9 Cg_exo -63.36 136.9 57.61 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.72 1.613 . . . . 0.0 113.635 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.58 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.4 Cg_endo -77.22 -67.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.167 2.578 . . . . 0.0 113.77 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.528 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -90.41 -162.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.432 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.5 tp -178.36 37.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.694 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -72.34 152.55 48.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.618 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -172.47 89.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.539 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 52.61 90.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.592 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -151.65 63.22 0.87 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.586 -179.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.753 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.592 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.818 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.649 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.752 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.753 ' CG2' ' HA ' ' A' ' 655' ' ' SER . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.418 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -21.31 51.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -52.94 125.08 15.93 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -163.74 52.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 61.5 61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.58 111.52 2.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.34 -45.42 34.82 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.481 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' B' ' 407' ' ' PRO . 61.8 Cg_exo -51.66 105.38 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.29 95.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -160.64 115.38 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 122.51 46.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.97 176.06 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -99.77 32.57 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.653 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 9.1 t80 -144.39 27.17 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 12.3 t -85.91 -88.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.545 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 12.0 t -153.72 57.77 2.01 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.413 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.14 151.03 66.71 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 111.631 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.93 139.3 90.25 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.89 1.727 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 44.5 Cg_endo -70.62 137.87 33.88 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.033 1.822 . . . . 0.0 113.783 -178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.818 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.5 Cg_exo -75.98 -60.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.268 2.645 . . . . 0.0 112.529 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.497 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -95.83 -161.97 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -178.889 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.8 pp -176.93 37.16 0.0 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.36 . . . . 0.0 110.635 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -59.93 139.52 48.37 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.548 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 89.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.97 87.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -88.64 54.77 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -83.9 -6.78 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.868 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.694 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.541 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.525 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.708 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.596 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.661 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.711 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.711 HD11 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.453 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.446 HD11 ' N ' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -56.36 -21.91 27.65 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -47.12 -28.9 1.95 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 32.32 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 60.4 35.21 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.919 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.439 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.499 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 52.5 Cg_exo -52.81 -51.57 10.82 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.401 2.067 . . . . 0.0 112.723 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.499 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 58.9 Cg_endo -71.42 110.54 2.88 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.224 1.949 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.57 -43.8 2.6 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.385 2.057 . . . . 0.0 112.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.71 75.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . 0.403 ' CE1' HG13 ' B' ' 416' ' ' VAL . 2.7 t60 -164.18 31.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -177.01 80.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -156.72 -60.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.1 ptm -176.7 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.649 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.7 t80 -97.57 24.61 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.7 p -73.02 -148.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.427 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.403 HG13 ' CE1' ' B' ' 410' ' ' HIS . 11.0 p -115.25 56.92 1.07 Allowed Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.438 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.02 152.21 81.93 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.147 2.565 . . . . 0.0 111.763 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.5 Cg_endo -57.63 139.4 90.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.68 1.586 . . . . 0.0 110.485 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.4 Cg_exo -70.51 137.43 33.26 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.006 1.804 . . . . 0.0 113.963 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.708 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.38 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.428 2.752 . . . . 0.0 113.001 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -80.45 -169.24 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.437 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -178.01 37.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.723 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -86.85 -112.32 0.91 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.52 35.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.572 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -172.02 75.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.44 79.12 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.578 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -122.06 -9.13 8.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.817 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.537 ' HB2' ' O ' ' A' ' 674' ' ' ILE . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.705 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.605 ' N ' ' O ' ' A' ' 661' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.609 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.437 ' CD1' ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.59 -20.42 32.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.49 -30.48 2.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -119.41 33.11 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 60.15 32.06 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 12.3 mtm105 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 85.4 Cg_exo -46.49 -43.95 21.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.568 2.179 . . . . 0.0 113.341 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 22.9 Cg_exo -65.42 111.25 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.444 2.096 . . . . 0.0 112.164 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.41 -177.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.405 2.07 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.91 -44.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.22 -69.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -105.63 163.5 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -148.41 84.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -105.99 -32.69 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.485 ' CE1' ' CZ ' ' A' ' 662' ' ' TYR . 6.5 t80 -63.31 -54.85 30.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 24.8 t 53.44 -160.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.518 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.2 t -134.26 55.49 15.14 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 33.9 Cg_exo -59.73 152.05 65.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.789 2.326 . . . . 0.0 111.66 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.68 139.39 90.09 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.661 1.574 . . . . 0.0 110.513 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 42.2 Cg_endo -70.42 137.05 32.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 121.874 1.716 . . . . 0.0 114.602 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.705 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 70.1 Cg_endo -76.68 -56.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.36 2.707 . . . . 0.0 113.454 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.522 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -95.25 179.44 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.413 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' B' ' 421' ' ' ILE . 1.1 mm? -154.51 29.03 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.46 142.16 15.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.616 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.49 117.69 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.81 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 12.3 t70 50.8 89.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.149 0.5 . . . . 0.0 110.64 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.519 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -139.64 -8.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.197 -179.397 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.504 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.459 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.638 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.5 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' B' ' 420' ' ' PRO . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.609 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.609 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.0 -22.11 35.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -51.41 131.39 28.76 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 34.54 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -138.43 34.46 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.54 105.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.447 ' N ' ' CD ' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.12 -46.97 24.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.698 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' B' ' 407' ' ' PRO . 98.2 Cg_endo -80.05 57.63 6.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.343 2.029 . . . . 0.0 112.408 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.04 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -133.11 -50.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 68.9 m80 60.59 87.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -102.62 -31.54 10.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -63.75 157.59 23.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.456 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -167.59 36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.43 166.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.39 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.03 122.04 63.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.484 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.638 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 20.4 Cg_endo -61.49 152.9 70.09 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 123.539 2.826 . . . . 0.0 114.583 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 36.0 Cg_exo -57.15 156.44 24.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 124.289 3.326 . . . . 0.0 112.382 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -53.23 154.84 13.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.09 2.527 . . . . 0.0 111.683 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 93.0 Cg_exo -49.16 123.7 10.46 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.839 2.359 . . . . 0.0 113.561 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.481 HD12 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -44.58 -61.79 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.848 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -176.72 37.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -98.99 179.91 31.41 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -176.5 82.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.61 -65.68 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 27.7 t0 53.0 85.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 110.914 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -143.1 6.55 1.55 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.604 -179.517 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.509 ' HB2' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.737 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.82 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.568 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.603 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.649 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.737 HG13 ' HA ' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -55.91 -21.63 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -49.55 124.57 9.69 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -164.66 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -117.44 34.45 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.932 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 159.73 52.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.569 2.18 . . . . 0.0 112.259 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 111.79 2.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.28 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.4 -28.52 35.65 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.439 2.093 . . . . 0.0 112.266 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -165.17 134.12 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.0 -59.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -131.73 33.38 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -156.32 134.87 11.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.5 mtt -98.21 -74.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . . . . . . . . . 10.9 t80 59.67 23.86 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 36.9 m -80.45 -87.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.544 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 13.7 t -153.8 57.32 1.84 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.301 . . . . 0.0 111.357 179.438 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.01 151.25 67.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.925 2.417 . . . . 0.0 111.534 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.44 139.1 89.29 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.686 1.591 . . . . 0.0 110.826 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.474 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 47.4 Cg_endo -70.78 137.7 33.02 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.128 1.886 . . . . 0.0 113.982 -178.286 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.82 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.12 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.202 2.602 . . . . 0.0 112.506 178.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -96.52 -163.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.901 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 6.1 tp -177.92 37.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.64 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -81.38 82.33 1.57 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -152.94 147.37 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.553 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -166.8 -64.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 52.77 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 0.0 110.738 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.499 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -149.55 50.33 0.94 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.468 -179.476 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 677' ' ' THR . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.629 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.529 ' CD2' HD13 ' A' ' 674' ' ' ILE . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.774 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.774 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.72 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.414 ' N ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -57.41 -21.15 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.9 m-20 -51.53 -34.79 37.95 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -136.7 34.9 2.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -129.95 32.11 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.896 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.711 0.291 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.65 105.25 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.605 2.203 . . . . 0.0 112.314 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.429 ' CB ' ' CD ' ' B' ' 408' ' ' PRO . 2.5 Cg_endo -43.18 -57.5 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.719 2.279 . . . . 0.0 112.673 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . 0.429 ' CD ' ' CB ' ' B' ' 407' ' ' PRO . 45.3 Cg_endo -68.19 82.46 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.382 2.055 . . . . 0.0 112.207 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -81.7 172.97 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.27 31.31 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.65 -67.96 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -166.35 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.8 ttp 58.7 106.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 674' ' ' ILE . 2.3 m-85 -75.55 -43.26 49.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 51.1 m 59.08 -172.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.4 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 12.0 t -120.15 53.7 2.93 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 111.417 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 52.3 Cg_endo -68.69 151.63 74.64 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.932 2.422 . . . . 0.0 111.638 179.334 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.18 139.31 90.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.087 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.458 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 48.4 Cg_endo -70.5 138.34 35.24 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.301 2.0 . . . . 0.0 114.01 -178.195 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.629 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 67.5 Cg_endo -75.88 -54.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.941 2.427 . . . . 0.0 113.059 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.482 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -104.73 -161.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.419 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.55 37.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.607 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -109.72 -151.64 13.78 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.545 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -87.14 -170.79 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -146.1 -69.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.52 35.49 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.518 ' N ' ' CD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.65 -8.39 55.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.766 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.515 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.71 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.533 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.608 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.608 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.828 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.493 HD11 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -24.59 19.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -50.15 121.79 5.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.144 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -156.83 32.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.99 34.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.92 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.78 0.324 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 154.6 66.16 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 166.49 27.68 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.151 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 165.36 31.55 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.571 2.181 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.43 106.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -98.33 -66.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 m170 64.12 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -175.91 -67.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 6.8 ptm -81.66 -174.64 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.673 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 2.8 t80 60.45 29.94 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 9.3 t -94.13 -89.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.769 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.462 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 4.2 t -153.25 49.73 0.53 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.792 0.33 . . . . 0.0 111.207 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 56.5 Cg_endo -69.73 151.58 69.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.906 2.404 . . . . 0.0 111.76 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.15 139.36 90.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.669 1.579 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 47.9 Cg_endo -70.78 137.51 32.63 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.147 1.898 . . . . 0.0 114.112 -178.038 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.71 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.1 Cg_exo -76.54 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.319 2.68 . . . . 0.0 112.578 178.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.525 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -90.63 -170.93 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.695 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.3 tp 179.68 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.39 . . . . 0.0 110.668 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.94 -140.9 10.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -176.21 97.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.513 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 63.16 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 50.69 76.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.933 0.397 . . . . 0.0 111.025 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.602 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.29 -18.12 2.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.126 -179.777 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.456 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.649 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 655' ' ' SER . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' B' ' 420' ' ' PRO . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.587 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.601 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.584 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 656' ' ' ALA . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -21.38 28.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.33 -78.67 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 10.3 pttp 44.65 31.25 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.387 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -176.78 73.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.948 -179.941 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.776 0.322 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.14 -47.15 24.03 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.544 2.163 . . . . 0.0 112.614 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 93.3 Cg_endo -80.72 109.29 2.22 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.388 2.059 . . . . 0.0 112.439 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.34 -28.85 26.75 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.485 2.123 . . . . 0.0 112.204 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -156.5 -54.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -157.29 84.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -83.35 90.83 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.33 54.56 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.7 ttt 60.84 95.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.526 ' CE1' ' CZ ' ' A' ' 662' ' ' TYR . 16.6 t80 -60.32 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 17.3 t 51.86 -90.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.47 137.31 13.71 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.363 . . . . 0.0 110.587 179.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.649 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 50.9 Cg_endo -70.02 153.08 68.1 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.443 2.762 . . . . 0.0 114.617 -178.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.484 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 32.5 Cg_exo -57.32 156.9 23.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 124.195 3.263 . . . . 0.0 111.978 178.629 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.79 155.51 10.62 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.196 2.597 . . . . 0.0 111.257 -178.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.522 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 1.1 Cg_endo -48.39 118.38 3.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.947 2.431 . . . . 0.0 113.143 -174.518 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.483 HD12 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -49.87 166.16 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.653 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 33.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -96.45 28.33 13.67 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.607 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -86.53 164.39 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.26 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.99 -69.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.058 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.6 t0 54.46 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.764 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.53 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -139.53 -4.48 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -179.605 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.701 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.427 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.53 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.726 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.535 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.582 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.768 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.768 HD11 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -55.03 -23.73 21.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -51.06 95.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.84 36.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -127.69 35.25 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.955 -179.944 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.34 110.12 2.59 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.594 2.196 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.39 156.65 63.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.087 . . . . 0.0 112.291 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.93 149.57 65.99 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -76.23 -175.55 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -59.82 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -153.5 -165.05 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 69.73 -66.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ttm -162.04 -43.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.673 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 4.8 t80 -82.87 56.63 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.3 p -111.48 -82.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.582 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 10.7 p -164.51 55.77 0.45 Allowed Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.559 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.582 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.7 Cg_exo -69.94 151.74 68.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.037 2.491 . . . . 0.0 111.597 179.349 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.35 139.33 90.16 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.74 1.627 . . . . 0.0 110.602 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.505 ' HB3' ' CE2' ' A' ' 661' ' ' TYR . 54.7 Cg_endo -70.87 137.04 31.39 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 121.94 1.76 . . . . 0.0 114.151 -177.84 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.726 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.94 -57.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.289 2.659 . . . . 0.0 112.637 178.538 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.536 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -88.22 -169.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.4 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp 178.15 39.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.43 -109.15 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.584 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -151.66 -178.47 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.506 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -100.58 36.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.99 70.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.582 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -114.33 -16.09 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.595 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . 0.514 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.679 ' HA ' HG13 ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.602 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.57 ' CD2' ' CD1' ' A' ' 674' ' ' ILE . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.655 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 661' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.665 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.679 HG13 ' HA ' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.455 ' OG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 656' ' ' ALA . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -55.84 -20.51 15.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -46.13 -77.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.224 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.69 59.59 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -97.65 33.38 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.931 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.34 -45.34 35.4 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.624 2.216 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 64.8 Cg_exo -51.46 156.73 5.64 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.436 2.091 . . . . 0.0 112.301 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.06 115.23 2.02 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.559 2.172 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -158.52 127.17 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.47 178.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -70.71 101.85 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -142.08 140.02 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -163.73 140.62 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.495 ' CZ ' ' HA ' ' A' ' 674' ' ' ILE . 4.8 m-85 -106.35 -31.03 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.49 -160.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.37 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.566 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.1 OUTLIER -135.26 52.0 6.56 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.713 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 30.4 Cg_exo -59.85 152.4 64.15 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.696 2.264 . . . . 0.0 111.016 178.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 38.6 Cg_exo -57.23 139.22 89.43 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 121.26 1.306 . . . . 0.0 110.305 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 11.9 Cg_exo -70.63 137.3 32.63 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.929 1.752 . . . . 0.0 113.912 -177.411 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.596 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.5 Cg_endo -76.77 -65.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.051 2.501 . . . . 0.0 113.371 179.151 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.511 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.43 -163.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.757 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.3 OUTLIER -176.51 36.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -91.35 49.62 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -179.18 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.729 0.299 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.68 -71.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.58 84.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.512 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -136.21 -8.43 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.204 -179.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.518 ' O ' ' CG2' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.422 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CG ' ' HG2' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.599 ' OH ' ' N ' ' B' ' 420' ' ' PRO . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.583 ' HB2' ' CB ' ' A' ' 671' ' ' ALA . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.723 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.676 ' HA ' HD12 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.712 HG13 ' CZ ' ' B' ' 414' ' ' PHE . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -55.78 -21.66 20.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.2 m-80 -52.16 -179.88 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 45.31 39.06 3.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.364 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -125.74 32.1 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.664 0.269 . . . . 0.0 111.518 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -81.99 112.22 2.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.597 2.198 . . . . 0.0 112.439 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.33 105.73 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.515 2.144 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.108 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -168.04 34.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.55 -73.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -143.69 107.3 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -174.97 129.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 mtt -75.87 95.21 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.712 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.4 t80 -152.31 25.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -74.72 -82.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.47 109.04 11.2 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.727 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . 0.583 ' HG2' ' CG ' ' A' ' 658' ' ' TRP . 45.8 Cg_exo -59.18 153.3 53.6 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.855 3.037 . . . . 0.0 114.351 -178.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 44.9 Cg_exo -56.93 156.59 23.18 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.359 3.373 . . . . 0.0 112.371 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -53.31 154.81 13.71 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.222 2.615 . . . . 0.0 111.963 -178.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.599 ' N ' ' OH ' ' A' ' 661' ' ' TYR . 91.3 Cg_exo -49.47 123.17 9.89 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.925 2.417 . . . . 0.0 113.539 -174.721 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.448 HD12 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -47.65 -61.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.584 -178.881 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 6.5 tp -175.9 36.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.71 71.18 2.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.575 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 60.52 105.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.95 75.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -60.31 96.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.566 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -145.48 61.01 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.688 -179.778 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 655' ' ' SER . . . . . 0.625 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.566 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 659' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 663' ' ' ARG . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 661' ' ' TYR . . . . . 0.788 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 662' ' ' TYR . . . . . 0.503 ' CD2' HD11 ' A' ' 674' ' ' ILE . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.662 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 665' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 668' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . 0.581 ' HA ' HD11 ' A' ' 674' ' ' ILE . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 673' ' ' ALA . . . . . . . . . . . . . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 674' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 671' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 678' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . 0.517 ' N ' ' CD2' ' A' ' 678' ' ' LEU . 19.7 mttt -65.13 -19.97 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.71 -32.32 1.47 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.284 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 38.69 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -161.32 31.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.704 0.287 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 111.63 2.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.275 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -51.77 106.36 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.498 2.132 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -45.72 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.503 2.136 . . . . 0.0 112.243 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -143.95 96.08 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -171.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.48 172.99 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -106.03 30.44 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 414' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 8.3 t80 -88.11 52.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.769 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 12.5 t -115.34 57.73 1.17 Allowed Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.92 151.59 85.27 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.008 2.472 . . . . 0.0 111.947 179.322 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.43 139.71 91.69 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.985 1.79 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 419' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 420' ' ' PRO . 42.4 Cg_endo -70.17 138.09 35.74 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.252 1.968 . . . . 0.0 114.011 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 420' ' ' PRO . . . . . 0.788 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.2 Cg_exo -75.9 -65.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.352 2.701 . . . . 0.0 112.642 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 421' ' ' ILE . . . . . 0.496 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -91.26 -160.36 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.829 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 422' ' ' LEU . . . . . 0.406 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.7 pt? -177.0 37.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 0.0 110.689 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.42 -48.55 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 60.33 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.532 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.566 0.222 . . . . 0.0 111.578 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.474 ' OG ' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.792 ' N ' HD21 ' A' ' 678' ' ' LEU . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.522 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.895 ' HA ' HG12 ' A' ' 665' ' ' VAL . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.662 ' CE ' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.576 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.641 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 678' ' ' LEU . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.792 HD21 ' N ' ' A' ' 656' ' ' ALA . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.446 ' N ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.785 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.901 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.784 ' CZ ' HG23 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.784 HG23 ' CZ ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.616 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.417 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.496 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.604 0.24 . . . . 0.0 111.538 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.774 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.464 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.924 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.924 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.596 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.464 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 111.501 0.185 . . . . 0.0 111.501 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.779 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.49 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.567 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.927 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.927 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.601 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.428 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.948 ' HA ' HG12 ' A' ' 665' ' ' VAL . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.643 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.638 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.478 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.442 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.513 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 678' ' ' LEU . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.52 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.941 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.941 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.556 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.604 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.628 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.672 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.996 0.426 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.707 ' HB2' HD12 ' A' ' 678' ' ' LEU . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.672 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.498 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.509 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.617 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.571 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.909 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.743 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.792 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.856 ' HE3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.657 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.536 ' OE2' HD13 ' A' ' 678' ' ' LEU . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.492 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.605 ' HB2' HD12 ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.443 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.942 ' HA ' HG12 ' A' ' 665' ' ' VAL . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.696 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.942 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.431 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.696 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.552 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.579 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.894 ' O ' HG13 ' A' ' 665' ' ' VAL . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.795 ' HA ' HG22 ' A' ' 665' ' ' VAL . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.796 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.62 ' HD3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.626 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 656' ' ' ALA . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.636 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.862 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.676 HD13 ' CD2' ' A' ' 662' ' ' TYR . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.565 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.949 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.746 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.949 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.752 ' HE3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.746 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.677 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.702 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.557 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.837 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.772 ' HB2' HD13 ' A' ' 678' ' ' LEU . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.644 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.479 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.91 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.654 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 670' ' ' GLU . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.829 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.722 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.541 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.549 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.896 ' O ' HG13 ' A' ' 665' ' ' VAL . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.821 ' HA ' HG22 ' A' ' 665' ' ' VAL . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.824 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm . . . . . 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.78 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.537 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.952 ' O ' HG13 ' A' ' 665' ' ' VAL . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.838 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.952 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.796 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.687 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.767 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.608 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.5 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.869 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.743 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.703 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.545 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.861 ' HA ' HG12 ' A' ' 665' ' ' VAL . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.733 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.437 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp . . . . . 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.777 ' OG ' HD13 ' A' ' 678' ' ' LEU . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.605 ' O ' ' N ' ' A' ' 665' ' ' VAL . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.741 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.741 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.604 HD13 ' CD2' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.777 HD13 ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.596 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.881 ' O ' HG13 ' A' ' 665' ' ' VAL . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.761 ' HA ' HG22 ' A' ' 665' ' ' VAL . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.699 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.654 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.478 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.698 ' HB2' ' HG1' ' A' ' 677' ' ' THR . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.934 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.487 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.93 ' HA ' HG12 ' A' ' 665' ' ' VAL . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.934 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.698 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.987 0.423 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.79 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.674 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.868 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.78 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.78 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.803 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.868 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.597 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.91 ' O ' HG13 ' A' ' 665' ' ' VAL . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.675 ' HB2' ' HB2' ' A' ' 671' ' ' ALA . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.731 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.62 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.873 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.449 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.511 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.513 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.756 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.885 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.792 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.724 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.443 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.724 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.499 ' HA ' HD13 ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.756 HD12 ' CB ' ' A' ' 655' ' ' SER . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.599 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.886 ' O ' HG13 ' A' ' 665' ' ' VAL . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.643 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.574 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.613 0.244 . . . . 0.0 111.595 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 656' ' ' ALA . . . . . 0.49 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.592 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.939 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.641 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.705 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.62 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.829 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.647 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.65 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.721 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.429 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.829 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 654' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 110.688 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 655' ' ' SER . . . . . 0.663 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 659' ' ' ALA . . . . . 0.782 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 661' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.673 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 668' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 673' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 674' ' ' ILE . . . . . 0.782 ' CG2' ' HB2' ' A' ' 659' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 678' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 675' ' ' GLU . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 679' ' ' LYS . . . . . 0.633 ' N ' HD23 ' A' ' 678' ' ' LEU . 19.7 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -175.05 77.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.98 74.18 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.699 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -116.75 -19.62 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.578 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.474 ' OG ' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.792 ' N ' HD21 ' A' ' 678' ' ' LEU . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.522 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.676 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.895 ' HA ' HG12 ' A' ' 665' ' ' VAL . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.662 ' CE ' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.576 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.641 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 678' ' ' LEU . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.792 HD21 ' N ' ' A' ' 656' ' ' ALA . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.74 -20.25 47.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -49.49 94.68 0.01 OUTLIER 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -133.15 35.35 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -99.81 31.99 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.611 0.243 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.6 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.0 111.99 3.0 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.488 2.125 . . . . 0.0 112.226 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.36 174.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.9 97.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -175.03 171.07 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -89.71 175.81 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -105.55 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 15.0 ttm -175.0 80.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.52 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 15.7 t80 -175.84 75.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 25.0 m -101.79 -88.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.591 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.5 t -153.24 52.69 0.88 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -60.19 151.44 73.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.228 . . . . 0.0 111.817 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.63 139.7 91.8 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.889 1.726 . . . . 0.0 110.739 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 42.4 Cg_endo -70.22 137.54 34.33 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 121.962 1.775 . . . . 0.0 113.998 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.729 ' HG3' HG21 ' A' ' 665' ' ' VAL . 63.5 Cg_endo -76.25 -56.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.218 2.612 . . . . 0.0 113.338 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.584 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.67 -162.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.1 OUTLIER -178.79 31.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.071 0.462 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.79 -170.19 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.916 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -174.84 79.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.101 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.91 -76.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 2.1 t70 56.93 72.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.706 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -131.26 -20.59 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.494 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.785 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.675 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.901 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.784 ' CZ ' HG23 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.784 HG23 ' CZ ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.616 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.417 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -56.54 -22.52 33.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.67 93.1 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -111.82 36.81 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -98.59 33.99 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.863 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.532 HH21 ' HB2' ' B' ' 409' ' ' ALA . 5.1 ttp180 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.437 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 2.7 Cg_endo -42.31 -57.27 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.971 2.447 . . . . 0.0 112.777 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 47.4 Cg_endo -68.36 154.58 71.69 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.299 2.0 . . . . 0.0 112.273 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.07 155.17 65.56 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.567 2.178 . . . . 0.0 112.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 409' ' ' ALA . . . . . 0.532 ' HB2' HH21 ' B' ' 405' ' ' ARG . . . -82.72 127.27 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -79.92 79.66 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -105.75 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.9 -75.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.6 ttm -177.27 -59.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.516 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 3.3 t80 68.71 -67.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.8 m 55.45 -164.65 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.9 55.89 2.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.014 0.435 . . . . 0.0 111.198 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 418' ' ' PRO . 21.0 Cg_endo -60.04 151.76 70.01 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.146 2.564 . . . . 0.0 111.983 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 417' ' ' PRO . 33.1 Cg_exo -57.97 139.88 91.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.908 1.739 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.484 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 41.8 Cg_endo -70.1 137.75 35.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.038 1.826 . . . . 0.0 114.207 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.699 ' HG3' HG21 ' A' ' 665' ' ' VAL . 61.2 Cg_endo -76.08 -58.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.162 2.575 . . . . 0.0 113.377 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.594 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.83 -160.15 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.67 37.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.85 160.91 14.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.55 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 60.01 -170.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.455 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.23 -69.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.445 ' HA ' HD22 ' A' ' 680' ' ' ASN . 6.7 p-10 43.48 72.22 0.2 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.412 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.708 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -128.42 -23.0 3.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.538 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.774 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.833 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.924 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.924 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.596 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.464 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -60.01 -17.15 36.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.445 HD22 ' HA ' ' A' ' 653' ' ' ASP . 12.5 p30 -40.08 130.21 2.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -167.98 33.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.79 34.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.46 ' HB2' ' HD3' ' B' ' 406' ' ' PRO . 9.0 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' B' ' 405' ' ' ARG . 88.1 Cg_endo -81.75 112.62 2.41 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.328 2.019 . . . . 0.0 112.427 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.03 155.38 8.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.424 2.083 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 169.39 19.54 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.62 -177.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -134.62 -47.01 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -96.49 173.45 7.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -153.86 -69.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -108.58 159.52 16.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.507 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 4.4 t80 -156.63 -59.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.1 p 53.52 -158.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.795 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.8 t -132.88 63.41 67.1 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 120.902 0.382 . . . . 0.0 111.547 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 22.7 Cg_exo -64.04 151.92 83.2 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.006 2.471 . . . . 0.0 111.669 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.9 139.65 91.1 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 121.827 1.685 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.0 Cg_endo -70.19 137.59 34.55 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 121.944 1.763 . . . . 0.0 114.186 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.833 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 5.9 Cg_exo -76.43 -66.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.445 2.763 . . . . 0.0 112.636 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.566 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -88.08 -160.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.4 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -177.09 37.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.977 0.417 . . . . 0.0 110.508 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -129.33 -139.74 4.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -88.49 -171.9 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.557 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -173.49 40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.56 75.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.687 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -117.97 -21.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.501 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.779 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.49 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.567 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.838 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.927 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.927 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.601 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.428 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -56.07 -22.14 26.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -51.61 128.47 23.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -167.18 33.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -154.06 32.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.688 0.28 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 105.76 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -51.05 105.97 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.21 2.65 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -148.8 175.18 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -149.24 112.91 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -152.54 31.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.59 109.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 30.7 mtp -144.49 172.3 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.493 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 6.2 t80 -60.87 -57.12 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 2.6 t 54.09 -158.54 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.706 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.604 HG13 ' O ' ' B' ' 416' ' ' VAL . 12.3 p -132.62 61.09 54.77 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.598 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.2 Cg_exo -59.66 152.24 64.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.04 2.494 . . . . 0.0 111.86 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.4 Cg_endo -57.63 139.91 91.75 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.799 1.666 . . . . 0.0 110.433 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.6 Cg_exo -67.73 137.19 41.31 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 121.939 1.76 . . . . 0.0 114.012 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 6.0 Cg_exo -76.68 -72.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.495 2.796 . . . . 0.0 113.165 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.617 ' C ' HD23 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -85.14 -161.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.617 HD23 ' C ' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -177.16 37.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.24 -119.3 2.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -62.27 84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.481 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -79.13 -68.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.96 72.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.709 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.3 -22.53 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.601 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.948 ' HA ' HG12 ' A' ' 665' ' ' VAL . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.643 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.638 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.478 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.442 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -55.73 -22.38 23.53 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.4 m-80 -51.44 93.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 32.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -171.42 35.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.884 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.672 0.273 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 75.8 Cg_exo -50.68 105.7 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.604 2.202 . . . . 0.0 112.374 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 406' ' ' PRO . 55.7 Cg_endo -69.88 159.34 53.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.478 2.119 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 171.38 14.85 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.569 2.179 . . . . 0.0 112.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.24 -171.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -93.2 100.85 13.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -137.17 147.29 45.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -132.91 146.81 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.19 100.06 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 33.1 t80 -155.33 54.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -60.36 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.614 HG13 ' O ' ' B' ' 416' ' ' VAL . 10.9 p -116.08 58.0 1.53 Allowed Pre-proline 0 CA--C 1.533 0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.341 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.01 152.28 66.07 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.198 2.599 . . . . 0.0 111.907 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.7 Cg_endo -57.67 139.96 91.94 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.828 1.685 . . . . 0.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 23.4 Cg_exo -65.73 137.26 49.02 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.937 1.758 . . . . 0.0 113.812 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 46.4 Cg_endo -76.88 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.047 2.498 . . . . 0.0 113.541 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.595 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -82.55 -162.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.547 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -177.32 37.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -100.26 -117.64 4.1 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.11 96.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -86.9 -63.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.0 t0 57.07 75.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.661 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.87 -9.14 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.947 -179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 678' ' ' LEU . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.52 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.622 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.941 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.941 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.556 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.604 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.628 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.56 -23.86 18.55 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -48.08 -29.5 3.63 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 34.8 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -123.88 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.734 0.302 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.432 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 29.5 Cg_exo -60.59 -47.5 13.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.593 2.195 . . . . 0.0 113.006 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.516 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 47.8 Cg_exo -53.53 -53.5 6.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.964 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 55.8 Cg_endo -69.7 170.32 16.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.091 1.861 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.56 78.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -155.29 81.21 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.84 104.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -62.54 141.6 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.7 ttt -63.21 -43.9 96.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.506 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -160.85 38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.9 t 56.68 -164.89 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.78 58.79 1.99 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.228 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.88 152.37 64.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.099 2.533 . . . . 0.0 111.545 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 12.8 Cg_endo -57.52 139.73 91.08 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 121.7 1.6 . . . . 0.0 110.566 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.3 Cg_exo -70.36 137.63 34.12 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 121.956 1.77 . . . . 0.0 113.778 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.578 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.1 Cg_endo -76.59 -65.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.989 2.459 . . . . 0.0 113.53 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.05 -163.63 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.5 tp -177.21 37.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.729 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -63.4 -168.21 1.07 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -155.01 34.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -111.16 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.67 108.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.433 . . . . 0.0 110.616 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.672 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -150.75 63.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.782 -179.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.707 ' HB2' HD12 ' A' ' 678' ' ' LEU . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.672 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.498 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.817 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -55.66 -23.0 25.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -48.35 -76.94 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 52.94 31.72 11.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 61.32 36.93 17.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 80.7 Cg_exo -46.75 -44.08 22.49 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.588 2.192 . . . . 0.0 113.333 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 21.3 Cg_exo -66.34 110.08 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.425 2.083 . . . . 0.0 112.188 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 54.6 Cg_endo -69.58 -32.16 19.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.421 2.08 . . . . 0.0 112.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -130.82 175.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 16.9 m80 60.27 82.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.55 174.24 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.36 162.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 ttt -95.31 -63.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 6.9 t80 68.72 -67.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 -163.62 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 8.0 t -117.92 55.96 2.17 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.9 151.56 84.65 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.95 2.433 . . . . 0.0 112.011 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -58.42 139.79 91.99 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.036 1.824 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' B' ' 420' ' ' PRO . 41.4 Cg_endo -70.07 138.12 36.11 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.144 1.896 . . . . 0.0 113.937 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.817 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.8 Cg_exo -76.04 -66.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.298 2.666 . . . . 0.0 112.79 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -89.16 -161.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.02 37.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.682 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -66.66 77.1 0.14 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.601 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -169.73 34.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.32 -75.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.74 71.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.713 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.21 -18.78 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.547 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.617 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.571 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.909 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.743 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.792 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.856 ' HE3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.657 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.536 ' OE2' HD13 ' A' ' 678' ' ' LEU . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.492 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -21.45 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -51.7 127.68 21.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.07 31.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -126.71 35.97 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.846 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 31.9 Cg_exo -57.3 -45.74 32.81 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.54 2.16 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 67.5 Cg_exo -51.18 154.68 7.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.436 2.09 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.96 178.35 4.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.661 2.241 . . . . 0.0 112.264 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -171.96 -69.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -111.61 154.35 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.33 -175.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -175.3 76.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -109.78 -75.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.525 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 26.6 t80 59.15 58.02 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' SER . . . . . 0.455 ' C ' ' HD3' ' B' ' 417' ' ' PRO . 0.7 OUTLIER -62.99 -144.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.517 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 10.2 t -128.84 55.99 20.95 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 32.0 Cg_exo -59.86 151.9 67.84 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.663 2.242 . . . . 0.0 111.668 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.87 139.94 92.07 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 121.778 1.652 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 19.7 Cg_endo -60.3 137.48 74.99 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.089 1.859 . . . . 0.0 113.71 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.754 ' HG2' HG11 ' A' ' 665' ' ' VAL . 64.2 Cg_endo -76.22 -56.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.611 . . . . 0.0 113.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.619 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -95.23 -168.69 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.443 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.8 tp -179.48 38.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.729 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -75.64 71.15 1.89 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.586 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.74 35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.61 -75.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.46 72.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.682 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.66 -12.91 3.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.676 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.605 ' HB2' HD12 ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.659 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.942 ' HA ' HG12 ' A' ' 665' ' ' VAL . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.696 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.942 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.431 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.696 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.98 -24.47 16.85 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -48.15 95.14 0.01 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.225 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -115.88 32.31 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -169.38 70.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.938 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' B' ' 406' ' ' PRO . 2.1 tmt_? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 405' ' ' ARG . 3.8 Cg_exo -41.85 -57.01 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.769 2.313 . . . . 0.0 112.971 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.472 ' HD3' ' HG2' ' B' ' 406' ' ' PRO . 99.3 Cg_exo -40.13 154.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.678 2.252 . . . . 0.0 112.76 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.55 -45.55 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.64 2.226 . . . . 0.0 112.26 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 409' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 410' ' ' HIS . . . 64.13 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 410' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' B' ' 409' ' ' ALA . 2.0 m-70 -174.3 79.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 411' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' B' ' 410' ' ' HIS . 6.1 m170 -166.82 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.75 162.46 35.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -176.67 96.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.512 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 15.3 t80 -176.49 70.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 74.4 p -90.24 -81.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.602 HG13 ' O ' ' B' ' 416' ' ' VAL . 10.1 p -166.01 55.9 0.39 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.412 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.9 Cg_exo -59.91 151.63 70.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.821 2.347 . . . . 0.0 111.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.25 139.92 92.35 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.977 1.784 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 40.9 Cg_endo -69.86 137.53 35.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 121.951 1.767 . . . . 0.0 114.073 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.715 ' HG3' HG21 ' A' ' 665' ' ' VAL . 64.1 Cg_endo -76.31 -57.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.325 2.683 . . . . 0.0 113.333 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.541 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -98.97 -162.99 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 8.6 tp -178.69 31.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.312 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.74 -99.12 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.889 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 60.5 92.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.37 80.91 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.29 . . . . 0.0 111.057 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.88 74.4 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.651 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -117.41 -11.48 10.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.552 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.552 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.579 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.894 ' O ' HG13 ' A' ' 665' ' ' VAL . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.795 ' HA ' HG22 ' A' ' 665' ' ' VAL . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.796 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.62 ' HD3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.626 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 656' ' ' ALA . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -55.71 -22.42 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.37 125.12 11.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -141.06 35.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.69 35.42 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.893 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.72 0.295 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.59 105.85 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.602 2.201 . . . . 0.0 112.393 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.74 105.82 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.53 160.69 3.45 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.218 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -142.67 -72.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 64.17 -79.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -150.05 106.03 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.48 147.16 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 28.9 mtt -127.88 34.1 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.509 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 22.1 t80 60.57 71.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 11.2 t -91.79 -81.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.602 HG13 ' O ' ' B' ' 416' ' ' VAL . 11.3 p -166.44 55.97 0.37 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 111.36 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 24.1 Cg_exo -63.06 151.44 84.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.809 2.339 . . . . 0.0 111.867 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.27 139.7 91.52 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 121.842 1.694 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.5 Cg_endo -70.25 137.56 34.29 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 121.94 1.76 . . . . 0.0 113.872 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.676 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.2 Cg_exo -76.67 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.353 2.702 . . . . 0.0 112.802 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.654 ' C ' HD23 ' B' ' 422' ' ' LEU . 0.0 OUTLIER -87.13 -168.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.654 HD23 ' C ' ' B' ' 421' ' ' ILE . 0.5 OUTLIER 179.38 32.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.366 -179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.82 -99.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.959 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 60.47 160.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.528 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 651' ' ' GLY . . . . . 0.62 ' N ' HD22 ' A' ' 683' ' ' ASN . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -142.1 -69.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.9 t70 59.22 36.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -75.53 -7.69 54.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.768 179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.636 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.691 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.862 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.676 HD13 ' CD2' ' A' ' 662' ' ' TYR . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -54.26 -24.82 20.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -53.3 96.68 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -163.67 34.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -133.69 32.82 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' ASN . . . . . 0.62 HD22 ' N ' ' A' ' 651' ' ' GLY . 11.5 p-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' B' ' 407' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 22.0 Cg_exo -63.21 -50.31 3.8 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.718 2.279 . . . . 0.0 113.705 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.527 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 31.1 Cg_exo -57.16 -50.78 10.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.149 1.899 . . . . 0.0 112.853 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 81.3 Cg_exo -44.09 94.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.489 2.126 . . . . 0.0 112.577 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -175.25 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.9 -64.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 68.28 -69.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.55 31.21 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 mtt 59.71 30.64 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.541 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 14.9 t80 59.43 76.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 415' ' ' SER . . . . . 0.405 ' OG ' HG22 ' B' ' 416' ' ' VAL . 12.8 t -104.66 -84.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.595 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -157.13 52.05 0.56 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-O 120.667 0.27 . . . . 0.0 111.493 179.485 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 34.3 Cg_exo -59.97 151.56 71.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.336 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.14 139.28 89.89 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.599 1.533 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.478 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 44.2 Cg_endo -70.54 137.56 33.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.009 1.806 . . . . 0.0 114.138 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.693 ' HG3' HG21 ' A' ' 665' ' ' VAL . 68.4 Cg_endo -76.14 -54.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.047 2.498 . . . . 0.0 112.941 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.598 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -102.47 -162.1 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 1.9 tp -177.37 37.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.955 0.407 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.48 60.51 4.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.533 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.96 91.54 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.481 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -96.1 81.1 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.74 74.61 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.621 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -116.23 -12.02 11.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.603 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.565 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.621 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.949 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.746 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.949 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.752 ' HE3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.746 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.677 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -55.75 -22.58 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.05 119.58 4.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -166.83 33.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.1 32.07 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.967 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' B' ' 405' ' ' ARG . 38.8 Cg_exo -58.89 -49.39 11.53 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.235 1.957 . . . . 0.0 112.581 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 88.8 Cg_exo -46.76 104.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.371 2.047 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.84 158.17 57.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.457 2.105 . . . . 0.0 112.262 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -63.27 150.64 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -131.89 -179.44 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -149.2 163.17 38.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 60.6 159.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.76 -34.69 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.506 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 2.5 t80 69.47 -64.86 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 415' ' ' SER . . . . . 0.401 ' C ' ' HD3' ' B' ' 417' ' ' PRO . 1.3 m 59.5 -156.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 416' ' ' VAL . 11.4 p -132.39 59.34 43.01 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 111.714 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.7 Cg_exo -59.75 152.39 63.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.977 2.451 . . . . 0.0 111.754 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.7 Cg_endo -57.74 139.85 91.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.783 1.655 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.5 Cg_exo -67.46 136.91 41.28 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.87 1.714 . . . . 0.0 114.0 -177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.621 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 47.8 Cg_endo -76.94 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.214 2.61 . . . . 0.0 113.47 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -80.85 -161.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -176.9 36.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.904 0.383 . . . . 0.0 110.633 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -108.33 133.41 11.64 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.57 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.7 94.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.486 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.13 -69.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 54.22 84.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.588 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.02 -5.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.045 -179.615 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.702 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.685 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.837 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.44 -23.81 27.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -52.54 92.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.16 36.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -148.2 34.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.683 0.278 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 160.64 48.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.585 2.19 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 155.23 9.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.603 2.202 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.74 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.562 2.175 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -157.75 88.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.56 33.71 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 64.18 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -84.6 171.99 11.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 32.8 mtp -104.66 -46.94 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.697 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 1.2 t80 60.45 26.72 16.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 54.2 p -76.41 -150.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.93 57.13 1.35 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.22 151.92 66.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.01 2.474 . . . . 0.0 111.668 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.96 139.2 89.54 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.587 1.525 . . . . 0.0 110.55 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.489 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 44.4 Cg_endo -70.55 137.3 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.005 1.803 . . . . 0.0 114.54 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.685 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 66.1 Cg_endo -76.64 -55.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.27 2.647 . . . . 0.0 113.141 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.52 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -95.59 -168.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.447 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp -179.45 38.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -94.4 -172.47 38.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.43 -178.24 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.49 -67.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 t70 56.85 72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.7 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.52 -12.6 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.753 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.772 ' HB2' HD13 ' A' ' 678' ' ' LEU . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.644 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.786 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.91 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.654 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 670' ' ' GLU . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.829 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -56.66 -20.61 22.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -47.56 113.41 0.7 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -153.03 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -101.06 35.15 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 12.6 p30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.561 0.219 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.58 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.546 2.164 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 161.52 45.66 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.483 2.122 . . . . 0.0 112.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.08 122.89 9.47 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.464 2.109 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -132.95 112.67 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -106.4 -69.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -131.9 108.53 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -176.64 102.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 46.0 mtp -134.67 -61.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.604 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 13.4 t80 -138.35 30.04 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -81.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.615 HG13 ' O ' ' B' ' 416' ' ' VAL . 7.2 p -164.14 53.03 0.33 Allowed Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 20.2 Cg_endo -59.81 152.2 65.39 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.156 2.571 . . . . 0.0 111.886 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 37.8 Cg_exo -57.62 139.74 91.18 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 121.76 1.64 . . . . 0.0 110.755 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 13.8 Cg_exo -70.18 137.39 34.11 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.044 1.829 . . . . 0.0 113.975 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.786 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.7 Cg_exo -76.21 -71.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.427 2.751 . . . . 0.0 113.143 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.597 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -84.34 -164.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.521 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.3 OUTLIER -177.54 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 -179.727 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -116.37 -116.22 2.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.51 -176.89 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 64.69 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.88 34.19 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -79.12 -9.25 59.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.657 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.722 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.541 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.549 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.896 ' O ' HG13 ' A' ' 665' ' ' VAL . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.821 ' HA ' HG22 ' A' ' 665' ' ' VAL . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.824 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -54.27 -24.49 19.06 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -50.24 94.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.003 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.6 33.15 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.54 35.42 20.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.981 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.732 0.301 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.47 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 32.5 Cg_exo -56.88 -47.15 24.64 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.574 2.183 . . . . 0.0 112.554 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 97.7 Cg_endo -79.79 156.25 24.03 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.373 2.049 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 135.19 29.36 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -151.49 -73.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 60.51 158.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -164.35 -66.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -144.19 106.56 4.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ttp -176.45 -52.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.644 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -104.95 -74.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t 45.17 -157.23 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.08 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.7 t -133.31 55.95 18.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.566 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -59.92 151.79 69.05 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 111.801 179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -58.26 139.92 92.36 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 121.853 1.702 . . . . 0.0 110.656 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 36.6 Cg_endo -67.93 137.54 41.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.991 1.794 . . . . 0.0 113.844 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.602 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.97 -57.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.328 2.685 . . . . 0.0 112.763 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -87.98 -170.94 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.268 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.461 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -179.49 38.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.64 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -90.2 -121.18 2.22 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 60.44 97.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.61 -75.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 56.73 71.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.073 0.463 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.712 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.43 -19.63 2.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.56 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.78 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.537 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.952 ' O ' HG13 ' A' ' 665' ' ' VAL . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.838 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.952 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.796 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.687 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -57.08 -21.92 35.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -49.64 -30.01 8.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 33.79 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -98.86 34.03 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.746 0.308 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 154.74 66.42 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 156.29 7.84 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.536 2.158 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.15 179.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.86 160.25 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -146.13 177.36 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -176.53 121.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.51 36.03 20.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.92 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.541 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -170.39 165.88 8.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 14.3 t -71.38 -84.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.695 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.609 HG13 ' O ' ' B' ' 416' ' ' VAL . 11.6 p -175.69 59.58 0.19 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.456 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.5 Cg_exo -59.94 151.87 68.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.882 2.388 . . . . 0.0 111.911 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 15.3 Cg_endo -58.15 139.97 92.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.969 1.78 . . . . 0.0 110.528 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 27.9 Cg_exo -63.36 136.9 57.61 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.72 1.613 . . . . 0.0 113.635 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.817 ' CG ' HG11 ' A' ' 665' ' ' VAL . 56.4 Cg_endo -77.22 -67.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.167 2.578 . . . . 0.0 113.77 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -90.41 -162.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.432 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.5 tp -178.36 37.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.694 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -72.34 152.55 48.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.618 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -172.47 89.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.539 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 52.61 90.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -151.65 63.22 0.87 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.586 -179.34 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.767 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.608 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.838 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.869 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.743 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -21.31 51.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -52.94 125.08 15.93 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -163.74 52.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 61.5 61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.58 111.52 2.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.34 -45.42 34.82 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.481 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' B' ' 407' ' ' PRO . 61.8 Cg_exo -51.66 105.38 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.29 95.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -160.64 115.38 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 122.51 46.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.97 176.06 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -99.77 32.57 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.664 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 9.1 t80 -144.39 27.17 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 12.3 t -85.91 -88.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.552 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 12.0 t -153.72 57.77 2.01 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.413 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.14 151.03 66.71 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 111.631 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.93 139.3 90.25 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.89 1.727 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 44.5 Cg_endo -70.62 137.87 33.88 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.033 1.822 . . . . 0.0 113.783 -178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.5 Cg_exo -75.98 -60.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.268 2.645 . . . . 0.0 112.529 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -95.83 -161.97 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -178.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.8 pp -176.93 37.16 0.0 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.36 . . . . 0.0 110.635 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -59.93 139.52 48.37 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.548 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 89.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.97 87.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -88.64 54.77 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -83.9 -6.78 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.868 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.703 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.545 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.861 ' HA ' HG12 ' A' ' 665' ' ' VAL . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.733 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.437 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -56.36 -21.91 27.65 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.425 ' ND2' HG22 ' A' ' 677' ' ' THR . 55.6 m-20 -47.12 -28.9 1.95 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 32.32 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 60.4 35.21 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.919 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.448 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.502 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 52.5 Cg_exo -52.81 -51.57 10.82 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.401 2.067 . . . . 0.0 112.723 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 58.9 Cg_endo -71.42 110.54 2.88 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.224 1.949 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.57 -43.8 2.6 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.385 2.057 . . . . 0.0 112.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.71 75.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -164.18 31.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -177.01 80.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -156.72 -60.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.1 ptm -176.7 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.7 t80 -97.57 24.61 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.7 p -73.02 -148.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.427 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 416' ' ' VAL . 11.0 p -115.25 56.92 1.07 Allowed Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.438 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.02 152.21 81.93 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.147 2.565 . . . . 0.0 111.763 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.497 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.5 Cg_endo -57.63 139.4 90.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.68 1.586 . . . . 0.0 110.485 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.4 Cg_exo -70.51 137.43 33.26 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.006 1.804 . . . . 0.0 113.963 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.38 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.428 2.752 . . . . 0.0 113.001 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -80.45 -169.24 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.437 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -178.01 37.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.723 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -86.85 -112.32 0.91 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.52 35.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.572 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -172.02 75.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 678' ' ' LEU . 86.0 m-20 -80.44 79.12 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.676 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -122.06 -9.13 8.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.817 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.777 ' OG ' HD13 ' A' ' 678' ' ' LEU . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.706 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.741 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.741 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.604 HD13 ' CD2' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.777 HD13 ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.59 -20.42 32.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.49 -30.48 2.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -119.41 33.11 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 60.15 32.06 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 12.3 mtm105 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 85.4 Cg_exo -46.49 -43.95 21.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.568 2.179 . . . . 0.0 113.341 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 22.9 Cg_exo -65.42 111.25 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.444 2.096 . . . . 0.0 112.164 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.41 -177.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.405 2.07 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.91 -44.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.22 -69.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 20.8 p-80 -105.63 163.5 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -148.41 84.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -105.99 -32.69 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.502 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 6.5 t80 -63.31 -54.85 30.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 24.8 t 53.44 -160.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.532 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.2 t -134.26 55.49 15.14 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 33.9 Cg_exo -59.73 152.05 65.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.789 2.326 . . . . 0.0 111.66 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.68 139.39 90.09 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.661 1.574 . . . . 0.0 110.513 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.499 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 42.2 Cg_endo -70.42 137.05 32.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 121.874 1.716 . . . . 0.0 114.602 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.706 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 70.1 Cg_endo -76.68 -56.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.36 2.707 . . . . 0.0 113.454 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.842 ' O ' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -95.25 179.44 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.413 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 421' ' ' ILE . 1.1 mm? -154.51 29.03 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.46 142.16 15.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.616 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.49 117.69 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.81 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 12.3 t70 50.8 89.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.149 0.5 . . . . 0.0 110.64 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.528 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.64 -8.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.197 -179.397 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.596 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.672 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.881 ' O ' HG13 ' A' ' 665' ' ' VAL . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.761 ' HA ' HG22 ' A' ' 665' ' ' VAL . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.699 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.654 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.478 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.0 -22.11 35.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -51.41 131.39 28.76 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 34.54 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -138.43 34.46 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.54 105.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.451 ' N ' ' HD2' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.12 -46.97 24.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.698 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' B' ' 407' ' ' PRO . 98.2 Cg_endo -80.05 57.63 6.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.343 2.029 . . . . 0.0 112.408 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.04 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -133.11 -50.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 68.9 m80 60.59 87.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -102.62 -31.54 10.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -63.75 157.59 23.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.484 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -167.59 36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.43 166.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.39 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.03 122.04 63.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.484 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.672 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 20.4 Cg_endo -61.49 152.9 70.09 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 123.539 2.826 . . . . 0.0 114.583 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 36.0 Cg_exo -57.15 156.44 24.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 124.289 3.326 . . . . 0.0 112.382 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -53.23 154.84 13.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.09 2.527 . . . . 0.0 111.683 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.641 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 93.0 Cg_exo -49.16 123.7 10.46 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.839 2.359 . . . . 0.0 113.561 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -44.58 -61.79 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.848 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 422' ' ' LEU . 0.7 OUTLIER -176.72 37.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.621 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -98.99 179.91 31.41 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -176.5 82.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.61 -65.68 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 27.7 t0 53.0 85.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 110.914 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.551 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -143.1 6.55 1.55 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.604 -179.517 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.698 ' HB2' ' HG1' ' A' ' 677' ' ' THR . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.934 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.835 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.93 ' HA ' HG12 ' A' ' 665' ' ' VAL . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.934 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 680' ' ' ASN . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -55.91 -21.63 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' A' ' 677' ' ' THR . 13.3 m120 -49.55 124.57 9.69 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -164.66 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -117.44 34.45 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 159.73 52.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.569 2.18 . . . . 0.0 112.259 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 111.79 2.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.28 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.4 -28.52 35.65 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.439 2.093 . . . . 0.0 112.266 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -165.17 134.12 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.0 -59.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -131.73 33.38 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -156.32 134.87 11.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.5 mtt -98.21 -74.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 674' ' ' ILE . 10.9 t80 59.67 23.86 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 36.9 m -80.45 -87.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.555 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 13.7 t -153.8 57.32 1.84 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.301 . . . . 0.0 111.357 179.438 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.555 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.01 151.25 67.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.925 2.417 . . . . 0.0 111.534 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 417' ' ' PRO . 31.6 Cg_exo -58.44 139.1 89.29 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.686 1.591 . . . . 0.0 110.826 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.479 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 47.4 Cg_endo -70.78 137.7 33.02 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.128 1.886 . . . . 0.0 113.982 -178.286 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.835 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.12 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.202 2.602 . . . . 0.0 112.506 178.558 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -96.52 -163.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.901 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 6.1 tp -177.92 37.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.64 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -81.38 82.33 1.57 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -152.94 147.37 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.553 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -166.8 -64.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 52.77 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 0.0 110.738 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.515 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -149.55 50.33 0.94 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.468 -179.476 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.79 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.674 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.868 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.78 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.78 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.803 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.868 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.597 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -57.41 -21.15 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.9 m-20 -51.53 -34.79 37.95 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -136.7 34.9 2.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -129.95 32.11 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.896 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.711 0.291 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 58.3 Cg_endo -71.65 105.25 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.605 2.203 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.435 ' N ' ' HD2' ' B' ' 408' ' ' PRO . 2.5 Cg_endo -43.18 -57.5 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.719 2.279 . . . . 0.0 112.673 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 407' ' ' PRO . 45.3 Cg_endo -68.19 82.46 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.382 2.055 . . . . 0.0 112.207 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -81.7 172.97 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 31.31 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.65 -67.96 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -166.35 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.8 ttp 58.7 106.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 674' ' ' ILE . 2.3 m-85 -75.55 -43.26 49.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 51.1 m 59.08 -172.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.4 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 12.0 t -120.15 53.7 2.93 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 111.417 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 52.3 Cg_endo -68.69 151.63 74.64 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.932 2.422 . . . . 0.0 111.638 179.334 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.18 139.31 90.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.087 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.487 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 48.4 Cg_endo -70.5 138.34 35.24 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.301 2.0 . . . . 0.0 114.01 -178.195 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.669 ' HG3' HG21 ' A' ' 665' ' ' VAL . 67.5 Cg_endo -75.88 -54.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.941 2.427 . . . . 0.0 113.059 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.6 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -104.73 -161.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.419 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.55 37.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.607 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -109.72 -151.64 13.78 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.545 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -87.14 -170.79 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -146.1 -69.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.52 35.49 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -73.65 -8.39 55.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.766 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.91 ' O ' HG13 ' A' ' 665' ' ' VAL . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.675 ' HB2' ' HB2' ' A' ' 671' ' ' ALA . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.731 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.62 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.873 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.449 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.511 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -24.59 19.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -50.15 121.79 5.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.144 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -156.83 32.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.99 34.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.92 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.78 0.324 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 154.6 66.16 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 166.49 27.68 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.151 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 165.36 31.55 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.571 2.181 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.43 106.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -98.33 -66.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 m170 64.12 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -175.91 -67.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 6.8 ptm -81.66 -174.64 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.686 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 2.8 t80 60.45 29.94 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 9.3 t -94.13 -89.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.769 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.462 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 4.2 t -153.25 49.73 0.53 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.792 0.33 . . . . 0.0 111.207 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 56.5 Cg_endo -69.73 151.58 69.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.906 2.404 . . . . 0.0 111.76 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.15 139.36 90.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.669 1.579 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 47.9 Cg_endo -70.78 137.51 32.63 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.147 1.898 . . . . 0.0 114.112 -178.038 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.728 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.1 Cg_exo -76.54 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.319 2.68 . . . . 0.0 112.578 178.502 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -90.63 -170.93 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.695 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.3 tp 179.68 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.39 . . . . 0.0 110.668 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.94 -140.9 10.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -176.21 97.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.513 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 63.16 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 50.69 76.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.933 0.397 . . . . 0.0 111.025 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.7 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.29 -18.12 2.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.126 -179.777 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.756 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.677 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.885 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.792 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.724 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.443 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.724 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.499 ' HA ' HD13 ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.756 HD12 ' CB ' ' A' ' 655' ' ' SER . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -21.38 28.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.33 -78.67 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 10.3 pttp 44.65 31.25 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.387 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -176.78 73.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.948 -179.941 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.776 0.322 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.453 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.14 -47.15 24.03 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.544 2.163 . . . . 0.0 112.614 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 93.3 Cg_endo -80.72 109.29 2.22 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.388 2.059 . . . . 0.0 112.439 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 52.1 Cg_endo -69.34 -28.85 26.75 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.485 2.123 . . . . 0.0 112.204 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -156.5 -54.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -157.29 84.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -83.35 90.83 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.33 54.56 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.7 ttt 60.84 95.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.527 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 16.6 t80 -60.32 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 17.3 t 51.86 -90.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.635 HG12 ' HD2' ' B' ' 417' ' ' PRO . 0.2 OUTLIER -144.47 137.31 13.71 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.363 . . . . 0.0 110.587 179.328 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.677 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 50.9 Cg_endo -70.02 153.08 68.1 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.443 2.762 . . . . 0.0 114.617 -178.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.484 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 32.5 Cg_exo -57.32 156.9 23.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 124.195 3.263 . . . . 0.0 111.978 178.629 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.79 155.51 10.62 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.196 2.597 . . . . 0.0 111.257 -178.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.596 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 1.1 Cg_endo -48.39 118.38 3.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.947 2.431 . . . . 0.0 113.143 -174.518 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.623 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -49.87 166.16 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.653 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 33.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -96.45 28.33 13.67 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.607 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -86.53 164.39 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.26 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.99 -69.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.058 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.6 t0 54.46 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.764 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.571 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.53 -4.48 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -179.605 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.599 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.886 ' O ' HG13 ' A' ' 665' ' ' VAL . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.643 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.574 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -55.03 -23.73 21.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -51.06 95.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.84 36.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -127.69 35.25 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.955 -179.944 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 56.0 Cg_endo -70.34 110.12 2.59 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.594 2.196 . . . . 0.0 112.287 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 406' ' ' PRO . 53.3 Cg_endo -69.39 156.65 63.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.087 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.93 149.57 65.99 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -76.23 -175.55 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -59.82 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -153.5 -165.05 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 69.73 -66.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ttm -162.04 -43.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.683 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 4.8 t80 -82.87 56.63 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.3 p -111.48 -82.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.607 HG13 ' O ' ' B' ' 416' ' ' VAL . 10.7 p -164.51 55.77 0.45 Allowed Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.559 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.7 Cg_exo -69.94 151.74 68.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.037 2.491 . . . . 0.0 111.597 179.349 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.35 139.33 90.16 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.74 1.627 . . . . 0.0 110.602 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 661' ' ' TYR . 54.7 Cg_endo -70.87 137.04 31.39 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 121.94 1.76 . . . . 0.0 114.151 -177.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.748 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.94 -57.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.289 2.659 . . . . 0.0 112.637 178.538 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.64 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -88.22 -169.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.4 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp 178.15 39.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.43 -109.15 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.584 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -151.66 -178.47 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.506 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -100.58 36.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.99 70.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.672 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -114.33 -16.09 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.595 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 656' ' ' ALA . . . . . 0.49 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.623 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.939 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.641 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.705 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.472 ' OG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -55.84 -20.51 15.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -46.13 -77.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.224 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.69 59.59 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -97.65 33.38 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.931 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.34 -45.34 35.4 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.624 2.216 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 64.8 Cg_exo -51.46 156.73 5.64 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.436 2.091 . . . . 0.0 112.301 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.06 115.23 2.02 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.559 2.172 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -158.52 127.17 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.47 178.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -70.71 101.85 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -142.08 140.02 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -163.73 140.62 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.589 ' CZ ' HD13 ' A' ' 674' ' ' ILE . 4.8 m-85 -106.35 -31.03 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.49 -160.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.37 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.586 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.1 OUTLIER -135.26 52.0 6.56 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.713 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.586 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 30.4 Cg_exo -59.85 152.4 64.15 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.696 2.264 . . . . 0.0 111.016 178.545 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 38.6 Cg_exo -57.23 139.22 89.43 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 121.26 1.306 . . . . 0.0 110.305 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 11.9 Cg_exo -70.63 137.3 32.63 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.929 1.752 . . . . 0.0 113.912 -177.411 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.5 Cg_endo -76.77 -65.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.051 2.501 . . . . 0.0 113.371 179.151 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.43 -163.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.757 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' B' ' 424' ' ' ARG . 0.3 OUTLIER -176.51 36.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -91.35 49.62 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 424' ' ' ARG . . . . . 0.606 ' HD3' HD23 ' B' ' 422' ' ' LEU . 0.0 OUTLIER -86.8 -179.18 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.729 0.299 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.68 -71.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.58 84.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.6 ' H ' ' HD1' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -136.21 -8.43 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.204 -179.61 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.829 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CG ' ' HG2' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.647 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' B' ' 420' ' ' PRO . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.65 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.721 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.429 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.829 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -55.78 -21.66 20.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 680' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.2 m-80 -52.16 -179.88 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 45.31 39.06 3.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.364 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -125.74 32.1 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 406' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.664 0.269 . . . . 0.0 111.518 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 406' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 405' ' ' ARG . 91.5 Cg_endo -81.99 112.22 2.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.597 2.198 . . . . 0.0 112.439 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.33 105.73 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.515 2.144 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.108 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -168.04 34.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.55 -73.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -143.69 107.3 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -174.97 129.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 mtt -75.87 95.21 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.725 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.4 t80 -152.31 25.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -74.72 -82.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.47 109.04 11.2 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.727 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 417' ' ' PRO . . . . . 0.589 ' HG2' ' CG ' ' A' ' 658' ' ' TRP . 45.8 Cg_exo -59.18 153.3 53.6 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.855 3.037 . . . . 0.0 114.351 -178.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 418' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 44.9 Cg_exo -56.93 156.59 23.18 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.359 3.373 . . . . 0.0 112.371 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -53.31 154.81 13.71 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.222 2.615 . . . . 0.0 111.963 -178.008 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.632 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 91.3 Cg_exo -49.47 123.17 9.89 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.925 2.417 . . . . 0.0 113.539 -174.721 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -47.65 -61.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.584 -178.881 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 6.5 tp -175.9 36.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.71 71.18 2.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.575 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 60.52 105.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.95 75.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -60.31 96.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -145.48 61.01 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.688 -179.778 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 655' ' ' SER . . . . . 0.663 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 659' ' ' ALA . . . . . 0.782 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 661' ' ' TYR . . . . . 0.808 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.673 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 668' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 673' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 674' ' ' ILE . . . . . 0.782 ' CG2' ' HB2' ' A' ' 659' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 678' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 675' ' ' GLU . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 679' ' ' LYS . . . . . 0.633 ' N ' HD23 ' A' ' 678' ' ' LEU . 19.7 mttt -65.13 -19.97 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.71 -32.32 1.47 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.284 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 38.69 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -161.32 31.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.704 0.287 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 111.63 2.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.275 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 408' ' ' PRO . 62.1 Cg_exo -51.77 106.36 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.498 2.132 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 55.7 Cg_endo -70.01 -45.72 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.503 2.136 . . . . 0.0 112.243 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -143.95 96.08 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -62.71 -171.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.48 172.99 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -106.03 30.44 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 414' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 8.3 t80 -88.11 52.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.769 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 12.5 t -115.34 57.73 1.17 Allowed Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.92 151.59 85.27 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.008 2.472 . . . . 0.0 111.947 179.322 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.43 139.71 91.69 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.985 1.79 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 419' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' B' ' 420' ' ' PRO . 42.4 Cg_endo -70.17 138.09 35.74 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.252 1.968 . . . . 0.0 114.011 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 420' ' ' PRO . . . . . 0.808 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.2 Cg_exo -75.9 -65.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.352 2.701 . . . . 0.0 112.642 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 421' ' ' ILE . . . . . 0.577 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -91.26 -160.36 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.829 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 422' ' ' LEU . . . . . 0.523 HD23 ' N ' ' B' ' 422' ' ' LEU . 1.7 pt? -177.0 37.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 0.0 110.689 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.42 -48.55 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 60.33 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.532 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.502 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.566 0.222 . . . . 0.0 111.578 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.474 ' OG ' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.792 ' N ' HD21 ' A' ' 678' ' ' LEU . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.522 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.895 ' HA ' HG12 ' A' ' 665' ' ' VAL . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.662 ' CE ' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.576 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.641 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 678' ' ' LEU . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.792 HD21 ' N ' ' A' ' 656' ' ' ALA . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.446 ' N ' ' HD1' ' A' ' 654' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.785 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.476 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.901 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.784 ' CZ ' HG23 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.784 HG23 ' CZ ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.616 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.417 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.496 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.604 0.24 . . . . 0.0 111.538 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.774 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.464 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.924 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.924 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.596 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.464 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.128 0 N-CA-C 111.501 0.185 . . . . 0.0 111.501 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.779 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.49 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.567 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.927 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.927 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.601 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.428 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.138 0 N-CA-C 111.458 0.17 . . . . 0.0 111.458 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.948 ' HA ' HG12 ' A' ' 665' ' ' VAL . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.643 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.638 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.478 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.442 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp . . . . . 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.513 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 678' ' ' LEU . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.52 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.465 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.941 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.941 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.556 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.604 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.628 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.672 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.996 0.426 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.707 ' HB2' HD12 ' A' ' 678' ' ' LEU . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.672 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.498 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.47 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.509 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.547 0.202 . . . . 0.0 111.547 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.617 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.571 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.909 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.743 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.792 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.856 ' HE3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.657 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.536 ' OE2' HD13 ' A' ' 678' ' ' LEU . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.492 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.676 0.25 . . . . 0.0 111.676 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.605 ' HB2' HD12 ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.443 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.942 ' HA ' HG12 ' A' ' 665' ' ' VAL . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.696 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.942 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.431 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.696 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm . . . . . 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.552 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.579 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.894 ' O ' HG13 ' A' ' 665' ' ' VAL . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.795 ' HA ' HG22 ' A' ' 665' ' ' VAL . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.796 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.62 ' HD3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.626 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 656' ' ' ALA . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.636 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.461 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.862 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.676 HD13 ' CD2' ' A' ' 662' ' ' TYR . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.565 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.949 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.746 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.949 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.752 ' HE3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.746 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.677 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.702 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.557 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.837 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.103 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.772 ' HB2' HD13 ' A' ' 678' ' ' LEU . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.644 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.479 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.91 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.654 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 670' ' ' GLU . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.829 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.722 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.541 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.549 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.896 ' O ' HG13 ' A' ' 665' ' ' VAL . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.821 ' HA ' HG22 ' A' ' 665' ' ' VAL . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.824 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm . . . . . 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.108 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.78 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.537 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.952 ' O ' HG13 ' A' ' 665' ' ' VAL . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.838 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.952 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.796 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.687 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 110.586 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.767 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.608 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.5 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.869 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.743 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.192 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.703 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.545 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.861 ' HA ' HG12 ' A' ' 665' ' ' VAL . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.733 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.437 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp . . . . . 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.506 ' CE2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.777 ' OG ' HD13 ' A' ' 678' ' ' LEU . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.605 ' O ' ' N ' ' A' ' 665' ' ' VAL . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.741 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.741 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.604 HD13 ' CD2' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.777 HD13 ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.596 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.514 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.881 ' O ' HG13 ' A' ' 665' ' ' VAL . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.761 ' HA ' HG22 ' A' ' 665' ' ' VAL . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.699 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.654 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.478 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.698 ' HB2' ' HG1' ' A' ' 677' ' ' THR . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.934 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.487 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.93 ' HA ' HG12 ' A' ' 665' ' ' VAL . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.934 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.698 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 120.987 0.423 . . . . 0.0 110.468 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.79 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.674 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.868 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.525 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.78 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.78 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.803 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.868 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.597 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.91 ' O ' HG13 ' A' ' 665' ' ' VAL . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.675 ' HB2' ' HB2' ' A' ' 671' ' ' ALA . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.731 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.62 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.873 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.449 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.511 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.513 ' CD2' ' CD1' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.16 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.756 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.885 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.792 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.724 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.443 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.724 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.499 ' HA ' HD13 ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.756 HD12 ' CB ' ' A' ' 655' ' ' SER . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.536 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.599 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.886 ' O ' HG13 ' A' ' 665' ' ' VAL . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.643 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.574 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.459 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.613 0.244 . . . . 0.0 111.595 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . 0.49 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.592 ' O ' ' HB ' ' A' ' 665' ' ' VAL . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.939 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.641 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.705 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.62 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.492 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.829 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.647 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.45 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.65 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.721 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.429 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.829 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 654' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.235 0.54 . . . . 0.0 110.688 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 655' ' ' SER . . . . . 0.663 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 659' ' ' ALA . . . . . 0.782 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 661' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.673 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 668' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 673' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 674' ' ' ILE . . . . . 0.782 ' CG2' ' HB2' ' A' ' 659' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 678' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 675' ' ' GLU . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 679' ' ' LYS . . . . . 0.633 ' N ' HD23 ' A' ' 678' ' ' LEU . 19.7 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -175.05 77.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 111.081 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.98 74.18 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.699 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -116.75 -19.62 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.578 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.474 ' OG ' HD23 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.42 -23.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.671 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.792 ' N ' HD21 ' A' ' 678' ' ' LEU . . . -66.93 -65.04 0.73 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.179 0.514 . . . . 0.0 110.029 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.1 tt0 -71.57 -18.21 62.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.012 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.17 -35.37 28.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.522 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.74 -34.26 69.37 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -53.22 -29.61 33.23 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.297 0.57 . . . . 0.0 109.736 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.676 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 15.9 m-85 -71.45 -61.41 1.78 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.987 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.895 ' HA ' HG12 ' A' ' 665' ' ' VAL . 25.9 m-85 -60.68 -18.2 52.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.721 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.576 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.3 OUTLIER -80.13 -2.27 43.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.695 178.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 17.0 t -160.82 22.76 0.14 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 111.456 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.8 p -117.47 -9.05 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.202 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.14 45.32 0.33 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.218 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.662 ' CE ' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.0 50.86 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.98 0.39 . . . . 0.0 111.864 179.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.576 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.52 -53.21 33.06 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.097 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.64 -37.81 42.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.22 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.509 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -79.19 -27.47 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.52 -33.2 73.41 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -26.02 67.72 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.27 -36.14 68.94 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.864 178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.641 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.87 -46.78 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.741 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.583 ' HG2' HD12 ' A' ' 678' ' ' LEU . 1.1 mt-10 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -28.8 69.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.67 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.79 -26.55 65.26 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.792 HD21 ' N ' ' A' ' 656' ' ' ALA . 85.5 mt -55.59 -34.49 64.87 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -58.74 -20.25 47.55 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.479 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -49.49 94.68 0.01 OUTLIER 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -133.15 35.35 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -99.81 31.99 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.611 0.243 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.6 105.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.581 2.187 . . . . 0.0 112.371 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.0 111.99 3.0 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.488 2.125 . . . . 0.0 112.226 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.36 174.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.417 2.078 . . . . 0.0 112.32 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.9 97.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -175.03 171.07 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -89.71 175.81 7.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -105.55 138.01 42.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 15.0 ttm -175.0 80.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.52 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 15.7 t80 -175.84 75.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 25.0 m -101.79 -88.04 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.591 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.5 t -153.24 52.69 0.88 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -60.19 151.44 73.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.228 . . . . 0.0 111.817 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.63 139.7 91.8 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.889 1.726 . . . . 0.0 110.739 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 42.4 Cg_endo -70.22 137.54 34.33 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 121.962 1.775 . . . . 0.0 113.998 -177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.729 ' HG3' HG21 ' A' ' 665' ' ' VAL . 63.5 Cg_endo -76.25 -56.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.218 2.612 . . . . 0.0 113.338 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.584 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.67 -162.16 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.1 OUTLIER -178.79 31.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.071 0.462 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.79 -170.19 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.916 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -174.84 79.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.101 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.91 -76.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.37 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 2.1 t70 56.93 72.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.706 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -131.26 -20.59 2.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.494 -179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.785 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -44.81 -28.54 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.539 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.59 -67.06 0.46 Allowed 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.101 0.477 . . . . 0.0 110.594 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 14.0 tt0 -69.58 -18.77 63.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.153 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.459 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -81.65 -35.53 29.87 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 663' ' ' ARG . . . -70.7 -40.47 72.86 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -48.52 -30.05 4.83 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.103 178.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.675 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.81 -56.36 5.89 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.223 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.901 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.9 m-85 -65.7 -15.69 63.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.178 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.784 ' CZ ' HG23 ' A' ' 668' ' ' ILE . 7.3 mmm180 -74.68 -10.84 59.92 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.7 t -158.54 18.26 0.21 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.4 p -110.17 -13.29 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.5 41.69 0.57 Allowed Glycine 0 C--N 1.337 0.599 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.62 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -168.0 41.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.68 0.276 . . . . 0.0 111.195 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.784 HG23 ' CZ ' ' A' ' 663' ' ' ARG . 1.9 mp -54.52 -57.47 6.27 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.404 0.621 . . . . 0.0 109.944 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.59 -41.12 41.12 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.492 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -76.84 -26.48 54.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.73 -35.52 78.33 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.34 -25.08 61.53 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.31 -37.36 44.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.701 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.616 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.92 -47.0 95.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.55 178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 2.4 tt0 -48.38 -25.9 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.706 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -27.26 65.32 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.912 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.417 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.18 -26.9 68.35 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.785 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.6 -33.89 61.13 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -56.54 -22.52 33.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.617 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -52.67 93.1 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.053 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -111.82 36.81 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -98.59 33.99 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.863 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.532 HH21 ' HB2' ' B' ' 409' ' ' ALA . 5.1 ttp180 . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.437 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 2.7 Cg_endo -42.31 -57.27 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.971 2.447 . . . . 0.0 112.777 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 47.4 Cg_endo -68.36 154.58 71.69 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.299 2.0 . . . . 0.0 112.273 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.07 155.17 65.56 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.567 2.178 . . . . 0.0 112.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . 0.532 ' HB2' HH21 ' B' ' 405' ' ' ARG . . . -82.72 127.27 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -79.92 79.66 6.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -105.75 171.04 7.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -87.9 -75.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.6 ttm -177.27 -59.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.516 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 3.3 t80 68.71 -67.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.8 m 55.45 -164.65 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 3.3 t -118.9 55.89 2.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.014 0.435 . . . . 0.0 111.198 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 418' ' ' PRO . 21.0 Cg_endo -60.04 151.76 70.01 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 123.146 2.564 . . . . 0.0 111.983 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 417' ' ' PRO . 33.1 Cg_exo -57.97 139.88 91.94 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.908 1.739 . . . . 0.0 110.894 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.484 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 41.8 Cg_endo -70.1 137.75 35.18 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.038 1.826 . . . . 0.0 114.207 -177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.699 ' HG3' HG21 ' A' ' 665' ' ' VAL . 61.2 Cg_endo -76.08 -58.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.162 2.575 . . . . 0.0 113.377 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.594 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -99.83 -160.15 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.67 37.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.581 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.85 160.91 14.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.55 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 60.01 -170.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.342 -1.254 . . . . 0.0 112.455 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.23 -69.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.738 0.304 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 43.48 72.22 0.2 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.412 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.708 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -128.42 -23.0 3.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.538 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.774 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -44.79 -27.59 0.53 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.566 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.95 0.47 Allowed 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.149 0.499 . . . . 0.0 110.387 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 3.5 tt0 -70.71 -16.89 62.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.018 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.496 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -82.99 -35.6 25.72 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.21 -34.7 68.56 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -53.77 -29.3 39.46 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 121.265 0.555 . . . . 0.0 109.732 178.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.833 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.1 m-85 -72.11 -58.71 3.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.261 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.924 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -63.52 -18.94 64.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.507 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.634 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.2 OUTLIER -76.78 -5.56 48.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.891 179.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 14.4 t -158.51 18.46 0.22 Allowed 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.924 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -116.1 -6.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.262 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 115.98 46.7 0.54 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.584 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.9 OUTLIER -175.11 39.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.634 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -52.38 -57.39 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-O 121.441 0.638 . . . . 0.0 110.24 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -37.49 37.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.407 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.531 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 mp0 -79.56 -27.38 41.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.81 -33.66 74.53 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -25.3 66.72 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.82 -37.37 55.81 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.652 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.596 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.76 -45.55 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.487 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.544 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.6 tm-20 -48.34 -26.86 2.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.516 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -27.44 67.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.844 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.464 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -64.94 -27.88 69.15 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 110.141 179.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.774 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.5 mp -53.4 -32.38 49.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -60.01 -17.15 36.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.443 ' HB3' ' O ' ' A' ' 677' ' ' THR . 1.6 p-10 -40.08 130.21 2.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -167.98 33.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -144.79 34.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.46 ' HB2' ' HD3' ' B' ' 406' ' ' PRO . 9.0 mtp180 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' B' ' 405' ' ' ARG . 88.1 Cg_endo -81.75 112.62 2.41 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.328 2.019 . . . . 0.0 112.427 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.03 155.38 8.81 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.424 2.083 . . . . 0.0 112.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.17 169.39 19.54 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.613 2.209 . . . . 0.0 112.271 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.62 -177.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -134.62 -47.01 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -96.49 173.45 7.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -153.86 -69.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -108.58 159.52 16.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.507 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 4.4 t80 -156.63 -59.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.1 p 53.52 -158.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.795 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 5.8 t -132.88 63.41 67.1 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-O 120.902 0.382 . . . . 0.0 111.547 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 22.7 Cg_exo -64.04 151.92 83.2 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.006 2.471 . . . . 0.0 111.669 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.9 139.65 91.1 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 121.827 1.685 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.0 Cg_endo -70.19 137.59 34.55 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 121.944 1.763 . . . . 0.0 114.186 -177.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.833 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 5.9 Cg_exo -76.43 -66.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.445 2.763 . . . . 0.0 112.636 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.566 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -88.08 -160.67 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.4 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -177.09 37.2 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.977 0.417 . . . . 0.0 110.508 -179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -129.33 -139.74 4.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -88.49 -171.9 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.557 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -173.49 40.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -72.56 75.21 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.687 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.1 OUTLIER -117.97 -21.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.501 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.779 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.3 -27.38 1.01 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.482 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.43 -66.99 0.46 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.102 0.477 . . . . 0.0 110.475 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.5 tt0 -70.97 -16.89 62.67 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.093 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.49 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.86 -34.91 26.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.026 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.567 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.43 -34.44 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -54.26 -29.52 47.19 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.269 0.557 . . . . 0.0 109.664 178.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.838 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.0 m-85 -71.41 -62.19 1.5 Allowed 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.96 179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.927 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.6 m-85 -58.42 -22.24 53.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.352 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.64 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.1 tpp180 -72.56 -8.36 54.79 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.923 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -156.64 19.08 0.33 Allowed 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.83 0.348 . . . . 0.0 111.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.927 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.09 -9.56 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.065 178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.45 34.59 1.08 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.465 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.6 OUTLIER -162.77 42.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 -179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.64 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -53.45 -58.71 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 CA-C-O 121.326 0.584 . . . . 0.0 110.095 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -32.93 21.33 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.411 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.6 OUTLIER -82.02 -28.87 32.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.339 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.55 -33.63 74.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.83 -24.54 66.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.56 -35.8 45.48 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.569 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.601 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -62.69 -45.16 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.53 178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.506 ' HA ' HD13 ' A' ' 678' ' ' LEU . 1.5 tt0 -48.64 -27.2 2.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.377 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -27.79 67.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.789 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.428 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.3 OUTLIER -63.7 -30.52 71.62 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.845 0.355 . . . . 0.0 110.08 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.779 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.0 mp -51.42 -33.82 32.22 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.077 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -56.07 -22.14 26.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.511 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -51.61 128.47 23.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.017 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 34.0 tttp -167.18 33.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -154.06 32.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.688 0.28 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 105.76 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.645 2.23 . . . . 0.0 112.342 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' B' ' 410' ' ' HIS . 74.4 Cg_exo -51.05 105.97 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.507 2.138 . . . . 0.0 112.339 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.21 2.65 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.294 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -148.8 175.18 11.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' B' ' 407' ' ' PRO . 21.0 m-70 -149.24 112.91 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -152.54 31.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.59 109.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 30.7 mtp -144.49 172.3 13.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.493 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 6.2 t80 -60.87 -57.12 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 2.6 t 54.09 -158.54 0.17 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.706 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.604 ' O ' HG13 ' B' ' 416' ' ' VAL . 12.3 p -132.62 61.09 54.77 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.598 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.2 Cg_exo -59.66 152.24 64.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.04 2.494 . . . . 0.0 111.86 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.4 Cg_endo -57.63 139.91 91.75 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.799 1.666 . . . . 0.0 110.433 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.6 Cg_exo -67.73 137.19 41.31 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 121.939 1.76 . . . . 0.0 114.012 -177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 6.0 Cg_exo -76.68 -72.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.495 2.796 . . . . 0.0 113.165 178.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.617 ' C ' HD23 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -85.14 -161.17 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.617 HD23 ' C ' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -177.16 37.33 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.24 -119.3 2.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -62.27 84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.481 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.138 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -79.13 -68.61 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.96 72.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.943 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.709 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.3 -22.53 2.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.58 -27.16 0.71 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.426 179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.9 0.48 Allowed 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.066 0.46 . . . . 0.0 110.423 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 37.0 tt0 -71.15 -16.32 62.53 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.03 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.479 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.3 OUTLIER -82.94 -36.04 25.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.02 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.563 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.08 -32.4 67.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.61 -29.8 59.78 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.267 0.556 . . . . 0.0 109.673 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.601 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 17.6 m-85 -70.58 -62.63 1.32 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.988 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.948 ' HA ' HG12 ' A' ' 665' ' ' VAL . 38.8 m-85 -57.25 -21.8 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.568 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.643 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.33 -8.47 55.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.712 179.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.3 t -156.48 18.91 0.34 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 120.832 0.349 . . . . 0.0 111.844 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.1 p -110.29 -11.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.18 35.94 0.98 Allowed Glycine 0 C--N 1.336 0.532 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.313 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.3 OUTLIER -164.27 40.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.57 0.224 . . . . 0.0 111.242 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.643 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.72 -56.23 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.354 0.597 . . . . 0.0 110.124 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.3 -34.87 35.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.271 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 8.6 tt0 -80.5 -28.31 37.51 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.17 -31.8 71.53 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 5.2 mm-40 -66.58 -16.15 63.95 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -87.55 -30.33 20.63 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.638 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -67.07 -46.77 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.786 178.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.478 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.2 -27.31 2.35 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.131 179.741 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.91 70.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.762 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.442 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.05 -31.11 72.17 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -51.41 -32.88 28.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.43 . . . . 0.0 110.026 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -55.73 -22.38 23.53 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.718 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.4 m-80 -51.44 93.77 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 32.14 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -171.42 35.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.884 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.672 0.273 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.415 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 75.8 Cg_exo -50.68 105.7 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.604 2.202 . . . . 0.0 112.374 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' B' ' 406' ' ' PRO . 55.7 Cg_endo -69.88 159.34 53.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.478 2.119 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 171.38 14.85 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.569 2.179 . . . . 0.0 112.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.24 -171.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -93.2 100.85 13.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -137.17 147.29 45.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -132.91 146.81 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.19 100.06 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.959 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 33.1 t80 -155.33 54.81 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 1.6 m -60.36 -157.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.614 ' O ' HG13 ' B' ' 416' ' ' VAL . 10.9 p -116.08 58.0 1.53 Allowed Pre-proline 0 CA--C 1.533 0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 111.341 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.01 152.28 66.07 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.198 2.599 . . . . 0.0 111.907 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.7 Cg_endo -57.67 139.96 91.94 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.828 1.685 . . . . 0.0 110.736 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 23.4 Cg_exo -65.73 137.26 49.02 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.937 1.758 . . . . 0.0 113.812 -177.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.588 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 46.4 Cg_endo -76.88 -74.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.047 2.498 . . . . 0.0 113.541 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.595 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -82.55 -162.95 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.547 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -177.32 37.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.929 0.395 . . . . 0.0 110.695 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -100.26 -117.64 4.1 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.11 96.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.492 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -86.9 -63.44 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.094 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.0 t0 57.07 75.19 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.157 0.503 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.661 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.87 -9.14 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.947 -179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' ' 678' ' ' LEU . 62.5 m -49.73 -24.81 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.496 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.54 -64.54 0.84 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -69.62 -22.32 63.5 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.879 179.791 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.513 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -80.33 -38.69 30.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.056 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.52 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.97 -31.96 66.8 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.56 -29.73 52.01 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.215 0.531 . . . . 0.0 109.591 178.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.622 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 13.5 m-85 -70.87 -62.43 1.39 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.943 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.941 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.6 m-85 -59.63 -18.76 44.21 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -78.35 -3.49 43.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.647 178.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -160.07 21.26 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.484 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.941 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.08 -11.75 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.019 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.63 38.73 0.5 Allowed Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.102 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.556 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.11 52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.037 0.419 . . . . 0.0 111.864 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.575 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -53.78 -52.37 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.311 0 CA-C-O 121.346 0.594 . . . . 0.0 110.069 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.28 -36.31 41.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.131 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.3 tm-20 -79.87 -27.89 40.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.243 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.604 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.38 -33.7 74.1 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.88 -25.11 68.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.14 -34.84 66.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.921 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.628 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.2 mp -61.71 -48.58 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.866 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.13 -29.15 1.43 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.497 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -36.5 76.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.759 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -68.19 -24.62 64.97 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -56.2 -33.4 65.27 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.781 178.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -54.56 -23.86 18.55 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.571 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -48.08 -29.5 3.63 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.43 34.8 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.538 ' NE2' HD23 ' A' ' 678' ' ' LEU . 9.8 mm100 -123.88 36.19 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.917 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.734 0.302 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.432 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 29.5 Cg_exo -60.59 -47.5 13.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.593 2.195 . . . . 0.0 113.006 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.516 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 47.8 Cg_exo -53.53 -53.5 6.47 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.337 2.025 . . . . 0.0 112.964 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.516 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 55.8 Cg_endo -69.7 170.32 16.77 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.091 1.861 . . . . 0.0 112.292 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.56 78.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -155.29 81.21 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -142.84 104.22 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -62.54 141.6 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.7 ttt -63.21 -43.9 96.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.506 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.3 OUTLIER -160.85 38.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 5.9 t 56.68 -164.89 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.78 58.79 1.99 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.008 0.432 . . . . 0.0 111.228 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.88 152.37 64.65 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.099 2.533 . . . . 0.0 111.545 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 12.8 Cg_endo -57.52 139.73 91.08 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 121.7 1.6 . . . . 0.0 110.566 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.3 Cg_exo -70.36 137.63 34.12 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 121.956 1.77 . . . . 0.0 113.778 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.578 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.1 Cg_endo -76.59 -65.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.989 2.459 . . . . 0.0 113.53 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.05 -163.63 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.5 tp -177.21 37.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 110.729 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -63.4 -168.21 1.07 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.56 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 6.3 ptt85 -155.01 34.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -111.16 62.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.67 108.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.01 0.433 . . . . 0.0 110.616 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.672 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -150.75 63.39 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.782 -179.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.707 ' HB2' HD12 ' A' ' 678' ' ' LEU . 7.8 m -122.84 -6.42 8.51 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.494 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -102.31 -47.76 4.4 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.33 0.586 . . . . 0.0 109.567 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.417 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -82.09 -20.84 37.34 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.425 179.235 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.672 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -84.62 -37.65 20.83 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.498 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.9 -32.31 67.27 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.26 -29.96 59.12 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.817 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 13.3 m-85 -69.81 -62.29 1.44 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.862 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 30.2 m-85 -59.62 -21.15 60.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.473 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.638 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -72.44 -9.07 58.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 179.002 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.0 t -156.32 18.2 0.35 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -111.63 -10.16 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 0.0 110.131 178.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.54 34.73 0.98 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.53 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.485 0.183 . . . . 0.0 111.423 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.638 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -54.09 -57.59 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-O 121.404 0.621 . . . . 0.0 110.156 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -50.78 -36.34 36.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.361 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 0.5 OUTLIER -80.19 -27.52 38.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.319 178.174 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.663 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.91 -34.1 75.44 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -61.87 -22.38 65.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.25 -37.38 53.24 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.021 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.689 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.4 mp -63.13 -42.17 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.899 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.13 -27.55 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.024 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -31.72 68.74 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.782 179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.49 -22.15 66.18 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.1 OUTLIER -57.36 -33.29 67.64 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.699 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -55.66 -23.0 25.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.765 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -48.35 -76.94 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 52.94 31.72 11.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 61.32 36.93 17.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 80.7 Cg_exo -46.75 -44.08 22.49 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.588 2.192 . . . . 0.0 113.333 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 21.3 Cg_exo -66.34 110.08 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.425 2.083 . . . . 0.0 112.188 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 54.6 Cg_endo -69.58 -32.16 19.85 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.421 2.08 . . . . 0.0 112.289 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -130.82 175.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 16.9 m80 60.27 82.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.55 174.24 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.36 162.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 ttt -95.31 -63.05 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.546 ' CZ ' HG12 ' A' ' 674' ' ' ILE . 6.9 t80 68.72 -67.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 4.8 m 56.32 -163.62 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 8.0 t -117.92 55.96 2.17 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-O 120.918 0.389 . . . . 0.0 111.198 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -63.9 151.56 84.65 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.95 2.433 . . . . 0.0 112.011 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -58.42 139.79 91.99 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.036 1.824 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' B' ' 420' ' ' PRO . 41.4 Cg_endo -70.07 138.12 36.11 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 122.144 1.896 . . . . 0.0 113.937 -178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.817 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.8 Cg_exo -76.04 -66.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.298 2.666 . . . . 0.0 112.79 178.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -89.16 -161.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.421 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.02 37.13 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.908 0.385 . . . . 0.0 110.682 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -66.66 77.1 0.14 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.601 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -169.73 34.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -60.32 -75.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.74 71.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.713 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.21 -18.78 2.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.547 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.617 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.24 -28.06 0.74 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.443 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.614 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -63.68 -66.6 0.52 Allowed 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.071 0.463 . . . . 0.0 110.563 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 42.0 tt0 -70.69 -16.3 62.78 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.325 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.509 ' CD1' ' CD2' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.46 -35.57 22.92 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.571 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.53 -31.47 68.56 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 6.7 pt-20 -52.94 -33.31 50.22 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 121.361 0.6 . . . . 0.0 109.638 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.909 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.8 m-85 -69.0 -63.04 1.14 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.988 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.743 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.5 m-85 -59.8 -16.99 32.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.959 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.792 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -86.15 3.26 43.55 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.617 178.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.4 t -163.34 18.75 0.07 Allowed 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.909 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -117.24 -6.55 11.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.681 0.277 . . . . 0.0 110.338 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 119.87 50.08 0.3 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.381 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.856 ' HE3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 172.1 45.98 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.955 0.377 . . . . 0.0 111.896 179.508 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -52.36 -51.62 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 121.382 0.61 . . . . 0.0 110.025 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.06 -40.36 45.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.191 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 14.0 tt0 -78.41 -27.12 46.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.792 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.7 -33.37 73.89 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -59.44 -25.65 64.55 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.86 -40.05 69.25 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.694 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.657 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -59.95 -46.28 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.394 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.536 ' OE2' HD13 ' A' ' 678' ' ' LEU . 1.6 mm-40 -46.83 -26.77 1.04 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.705 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.53 -26.96 64.77 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.995 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.492 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.62 -31.12 71.97 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.845 0.355 . . . . 0.0 110.214 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.617 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.08 -35.1 46.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.194 0.521 . . . . 0.0 109.847 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -21.45 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.692 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -51.7 127.68 21.31 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.07 31.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -126.71 35.97 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.2 t30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.846 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.757 0.313 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 31.9 Cg_exo -57.3 -45.74 32.81 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.54 2.16 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 67.5 Cg_exo -51.18 154.68 7.49 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.436 2.09 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.96 178.35 4.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.661 2.241 . . . . 0.0 112.264 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -171.96 -69.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -111.61 154.35 25.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -60.33 -175.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -175.3 76.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -109.78 -75.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.525 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 26.6 t80 59.15 58.02 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . 0.455 ' C ' ' HD3' ' B' ' 417' ' ' PRO . 0.7 OUTLIER -62.99 -144.09 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.427 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.517 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 10.2 t -128.84 55.99 20.95 Favored Pre-proline 0 CA--C 1.533 0.289 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 32.0 Cg_exo -59.86 151.9 67.84 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.663 2.242 . . . . 0.0 111.668 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.87 139.94 92.07 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 121.778 1.652 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.47 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 19.7 Cg_endo -60.3 137.48 74.99 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.089 1.859 . . . . 0.0 113.71 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.754 ' HG2' HG11 ' A' ' 665' ' ' VAL . 64.2 Cg_endo -76.22 -56.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.217 2.611 . . . . 0.0 113.589 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.619 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -95.23 -168.69 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -178.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.443 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 4.8 tp -179.48 38.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.964 0.411 . . . . 0.0 110.729 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -75.64 71.15 1.89 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.586 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.74 35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.344 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -64.61 -75.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.907 0.384 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 18.4 t0 56.46 72.24 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.682 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.66 -12.91 3.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.676 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.605 ' HB2' HD12 ' A' ' 678' ' ' LEU . 71.0 m -45.17 -26.17 0.44 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.467 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -68.27 -65.96 0.63 Allowed 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.188 0.518 . . . . 0.0 110.741 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.603 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 2.5 tt0 -72.9 -7.45 51.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.561 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -94.71 -36.57 11.67 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.605 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.59 -32.19 65.8 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 21.1 pt-20 -53.43 -31.7 46.53 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.307 0.575 . . . . 0.0 109.511 178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.659 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.1 m-85 -69.24 -62.45 1.38 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.951 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.942 ' HA ' HG12 ' A' ' 665' ' ' VAL . 26.8 m-85 -59.97 -18.3 44.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.676 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.696 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 4.4 mpp_? -79.08 -2.88 42.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.487 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 27.0 t -160.22 21.53 0.16 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.495 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.942 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -113.62 -11.34 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.068 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.26 37.58 0.56 Allowed Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.549 -0.834 . . . . 0.0 113.263 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.431 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -178.21 52.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.969 0.385 . . . . 0.0 111.855 179.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.586 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -54.38 -52.83 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.436 0.636 . . . . 0.0 110.103 179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.29 -35.65 38.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.185 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -80.28 -27.79 38.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.177 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.696 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.44 -33.43 73.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -62.06 -25.0 67.43 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.43 -35.17 65.76 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.905 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.612 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.42 -48.58 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.898 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -46.42 -29.02 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.481 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -36.58 76.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.694 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -67.02 -26.26 66.69 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 655' ' ' SER . 0.4 OUTLIER -54.8 -33.48 61.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.796 178.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.98 -24.47 16.85 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.497 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -48.15 95.14 0.01 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.225 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -115.88 32.31 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -169.38 70.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.938 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.492 ' N ' ' HD2' ' B' ' 406' ' ' PRO . 2.1 tmt_? . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' B' ' 405' ' ' ARG . 3.8 Cg_exo -41.85 -57.01 1.66 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.769 2.313 . . . . 0.0 112.971 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.472 ' HD3' ' HG2' ' B' ' 406' ' ' PRO . 99.3 Cg_exo -40.13 154.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.678 2.252 . . . . 0.0 112.76 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.55 -45.55 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.64 2.226 . . . . 0.0 112.26 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' B' ' 410' ' ' HIS . . . 64.13 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' B' ' 409' ' ' ALA . 2.0 m-70 -174.3 79.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' B' ' 410' ' ' HIS . 6.1 m170 -166.82 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -143.75 162.46 35.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -176.67 96.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.512 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 15.3 t80 -176.49 70.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 74.4 p -90.24 -81.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.602 ' O ' HG13 ' B' ' 416' ' ' VAL . 10.1 p -166.01 55.9 0.39 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.412 179.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.9 Cg_exo -59.91 151.63 70.09 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.821 2.347 . . . . 0.0 111.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.25 139.92 92.35 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 121.977 1.784 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 40.9 Cg_endo -69.86 137.53 35.37 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 121.951 1.767 . . . . 0.0 114.073 -177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.715 ' HG3' HG21 ' A' ' 665' ' ' VAL . 64.1 Cg_endo -76.31 -57.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.325 2.683 . . . . 0.0 113.333 179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.541 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -98.97 -162.99 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -178.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.423 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 8.6 tp -178.69 31.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.312 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.74 -99.12 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.889 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 60.5 92.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.37 80.91 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.71 0.29 . . . . 0.0 111.057 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.88 74.4 7.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.651 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -117.41 -11.48 10.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.552 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.552 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -46.63 -27.49 1.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.484 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.579 ' N ' HD13 ' A' ' 678' ' ' LEU . . . -66.05 -67.79 0.42 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.012 0.434 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -69.03 -17.89 63.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.455 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -84.45 -34.95 23.35 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -73.55 -31.78 63.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.485 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -55.1 -30.19 59.18 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.286 0.565 . . . . 0.0 109.586 178.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.894 ' O ' HG13 ' A' ' 665' ' ' VAL . 18.7 m-85 -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.837 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.795 ' HA ' HG22 ' A' ' 665' ' ' VAL . 26.4 m-85 -57.96 -18.84 26.1 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.885 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.796 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.11 0.78 43.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.689 178.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.6 t -161.55 18.05 0.11 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.894 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.1 m -114.33 -8.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.57 43.52 0.38 Allowed Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.46 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.62 ' HD3' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 178.59 47.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.064 0.432 . . . . 0.0 111.856 179.523 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.85 -51.51 27.84 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 121.437 0.637 . . . . 0.0 110.219 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -49.97 -41.66 47.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.245 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 9.8 tt0 -77.38 -26.6 52.01 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.796 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.35 -33.47 73.68 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.91 -24.32 64.21 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.64 -41.66 68.54 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.055 178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.626 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.65 178.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.428 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 1.3 mt-10 -48.2 -27.87 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.218 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -68.09 -31.76 71.61 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.375 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -67.04 -32.76 74.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.747 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 656' ' ' ALA . 5.9 tp -49.96 -36.41 27.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.1 179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -55.71 -22.42 23.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.823 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -50.37 125.12 11.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -141.06 35.42 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.69 35.42 19.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.893 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.72 0.295 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.59 105.85 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.602 2.201 . . . . 0.0 112.393 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.74 105.82 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.517 2.145 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.53 160.69 3.45 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.561 2.174 . . . . 0.0 112.218 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -142.67 -72.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 64.17 -79.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -150.05 106.03 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.48 147.16 5.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 28.9 mtt -127.88 34.1 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.509 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 22.1 t80 60.57 71.76 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 11.2 t -91.79 -81.19 0.34 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.602 ' O ' HG13 ' B' ' 416' ' ' VAL . 11.3 p -166.44 55.97 0.37 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-O 120.813 0.34 . . . . 0.0 111.36 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.567 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 24.1 Cg_exo -63.06 151.44 84.72 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.809 2.339 . . . . 0.0 111.867 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.27 139.7 91.52 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 121.842 1.694 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 43.5 Cg_endo -70.25 137.56 34.29 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 121.94 1.76 . . . . 0.0 113.872 -178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.676 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.2 Cg_exo -76.67 -59.37 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.353 2.702 . . . . 0.0 112.802 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.654 ' C ' HD23 ' B' ' 422' ' ' LEU . 0.0 OUTLIER -87.13 -168.59 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.654 HD23 ' C ' ' B' ' 421' ' ' ILE . 0.5 OUTLIER 179.38 32.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.366 -179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . 46.82 -99.16 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.959 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 60.47 160.14 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.528 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -142.1 -69.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.9 t70 59.22 36.28 23.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -75.53 -7.69 54.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.768 179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.636 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.71 -29.77 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -69.15 -66.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.066 0.46 . . . . 0.0 110.87 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 660' ' ' GLU . 4.1 tt0 -68.73 -17.74 64.11 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -85.02 -38.51 19.13 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.193 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.38 -31.78 69.16 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -55.38 -29.86 59.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.222 0.535 . . . . 0.0 110.174 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.691 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 16.3 m-85 -72.5 -55.32 7.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.558 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.862 ' HA ' HG12 ' A' ' 665' ' ' VAL . 31.7 m-85 -65.03 -24.73 67.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.016 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.635 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 8.1 ptt180 -90.42 27.72 1.63 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.158 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 38.9 t -178.29 19.27 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.356 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 662' ' ' TYR . 5.9 p -128.03 5.78 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 CA-C-O 120.893 0.378 . . . . 0.0 110.453 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 107.85 43.44 1.31 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.448 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.29 53.15 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 117.405 0.603 . . . . 0.0 112.491 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -57.11 -49.31 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.465 0 CA-C-O 121.491 0.662 . . . . 0.0 109.821 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.67 -36.67 36.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.153 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 19.3 tt0 -81.67 -27.76 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -62.63 -32.2 73.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -60.74 -24.1 65.45 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.63 -44.55 61.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.025 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.676 HD13 ' CD2' ' A' ' 662' ' ' TYR . 3.3 mp -59.39 -40.77 82.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.59 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.0 -28.12 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.738 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -70.55 -36.93 73.92 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.346 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 674' ' ' ILE . 0.2 OUTLIER -59.97 -26.81 66.31 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -53.61 -33.23 54.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.876 179.007 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttp -54.26 -24.82 20.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.623 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -53.3 96.68 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -163.67 34.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -133.69 32.82 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.883 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB3' ' HD2' ' B' ' 407' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.642 0.258 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 22.0 Cg_exo -63.21 -50.31 3.8 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.718 2.279 . . . . 0.0 113.705 -179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.527 ' HB2' ' HD3' ' B' ' 408' ' ' PRO . 31.1 Cg_exo -57.16 -50.78 10.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.149 1.899 . . . . 0.0 112.853 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.527 ' HD3' ' HB2' ' B' ' 407' ' ' PRO . 81.3 Cg_exo -44.09 94.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.489 2.126 . . . . 0.0 112.577 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -175.25 -41.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.07 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -92.9 -64.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 68.28 -69.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -135.55 31.21 3.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 23.8 mtt 59.71 30.64 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.541 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 14.9 t80 59.43 76.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . 0.405 ' OG ' HG22 ' B' ' 416' ' ' VAL . 12.8 t -104.66 -84.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.658 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.595 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -157.13 52.05 0.56 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-O 120.667 0.27 . . . . 0.0 111.493 179.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 34.3 Cg_exo -59.97 151.56 71.04 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.627 2.218 . . . . 0.0 111.336 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.14 139.28 89.89 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.599 1.533 . . . . 0.0 110.661 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.478 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 44.2 Cg_endo -70.54 137.56 33.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.009 1.806 . . . . 0.0 114.138 -177.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.693 ' HG3' HG21 ' A' ' 665' ' ' VAL . 68.4 Cg_endo -76.14 -54.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.047 2.498 . . . . 0.0 112.941 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.598 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -102.47 -162.1 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 1.9 tp -177.37 37.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.955 0.407 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.48 60.51 4.3 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.533 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.96 91.54 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.481 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -96.1 81.1 3.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -77.74 74.61 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.621 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -116.23 -12.02 11.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.603 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.565 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -46.75 -28.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.412 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.59 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.05 0.452 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.5 tp60 -68.35 -18.51 64.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.5 OUTLIER -82.79 -35.62 26.32 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.575 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.97 -36.77 72.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.03 -30.32 24.9 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.967 178.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.621 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.8 m-85 -71.67 -60.01 2.46 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.118 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.949 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.1 m-85 -61.54 -15.26 36.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.93 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.746 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.1 mmt-85 -72.74 -16.24 61.66 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.691 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 9.0 t -154.59 21.34 0.47 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.013 0.435 . . . . 0.0 111.718 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.949 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.5 p -104.67 -17.43 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.47 46.83 0.26 Allowed Glycine 0 C--N 1.338 0.685 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.274 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.752 ' HE3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 177.78 44.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.829 0.347 . . . . 0.0 111.281 179.53 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.746 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -50.64 -53.78 11.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.254 0.55 . . . . 0.0 110.463 179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.45 -50.43 22.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.454 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.6 mt-10 -71.6 -25.64 62.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.715 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.05 -35.65 77.49 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.07 -25.26 44.53 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.59 -38.37 74.01 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.733 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.677 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.51 -44.19 98.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.679 178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -26.88 2.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -29.15 63.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.701 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.46 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.36 -31.43 72.58 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.119 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.2 OUTLIER -50.4 -34.96 26.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.189 179.282 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -55.75 -22.58 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.661 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.05 119.58 4.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -166.83 33.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.1 32.07 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.967 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' B' ' 405' ' ' ARG . 38.8 Cg_exo -58.89 -49.39 11.53 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.235 1.957 . . . . 0.0 112.581 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 88.8 Cg_exo -46.76 104.2 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.371 2.047 . . . . 0.0 112.515 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.84 158.17 57.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.457 2.105 . . . . 0.0 112.262 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -63.27 150.64 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -131.89 -179.44 5.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -149.2 163.17 38.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 60.6 159.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -100.76 -34.69 9.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.506 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 2.5 t80 69.47 -64.86 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . 0.401 ' C ' ' HD3' ' B' ' 417' ' ' PRO . 1.3 m 59.5 -156.85 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.569 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.608 ' O ' HG13 ' B' ' 416' ' ' VAL . 11.4 p -132.39 59.34 43.01 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 111.714 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 38.7 Cg_exo -59.75 152.39 63.64 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.977 2.451 . . . . 0.0 111.754 179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.428 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.7 Cg_endo -57.74 139.85 91.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.783 1.655 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 18.5 Cg_exo -67.46 136.91 41.28 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 121.87 1.714 . . . . 0.0 114.0 -177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.621 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 47.8 Cg_endo -76.94 -76.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.214 2.61 . . . . 0.0 113.47 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.586 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -80.85 -161.62 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -178.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.424 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.6 OUTLIER -176.9 36.75 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.904 0.383 . . . . 0.0 110.633 -179.737 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -108.33 133.41 11.64 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.57 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.7 94.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.486 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -138.13 -69.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 54.22 84.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.182 0.515 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.588 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.02 -5.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.045 -179.615 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.702 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -44.86 -31.34 1.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.579 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.36 -66.17 0.58 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.052 0.453 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -67.97 -21.83 65.05 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.64 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.62 -29.42 25.78 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.157 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.587 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -81.27 -27.04 35.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.87 -35.42 64.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.13 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.685 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 34.8 m-85 -69.62 -61.14 1.9 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.077 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.837 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.8 m-85 -58.17 -21.24 46.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.632 179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 0.0 OUTLIER -83.4 -0.53 50.36 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.766 178.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.4 t -163.23 26.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.099 0.476 . . . . 0.0 111.124 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.837 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.4 p -120.95 -9.47 10.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.984 179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.07 42.37 0.37 Allowed Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.449 -0.882 . . . . 0.0 113.604 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 1.9 pttt 172.38 55.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 117.21 0.505 . . . . 0.0 112.043 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.551 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.5 mp -54.28 -49.96 59.81 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.177 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -44.01 44.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.281 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.577 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.8 tm-20 -76.54 -26.26 55.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.07 -34.16 74.47 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -56.43 -24.17 43.36 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -68.07 -39.73 82.87 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.339 179.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.7 mp -63.95 -39.86 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.89 -25.75 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.075 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.06 -28.65 60.47 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.367 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -26.38 65.87 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.606 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -55.75 -33.02 63.9 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.847 179.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 10.9 ttpp -55.44 -23.81 27.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.613 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -52.54 92.77 0.01 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.18 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.16 36.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -148.2 34.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.683 0.278 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.07 160.64 48.88 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.585 2.19 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.17 155.23 9.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.603 2.202 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -43.74 2.36 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.562 2.175 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -157.75 88.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -104.56 33.71 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 64.18 -79.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -84.6 171.99 11.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 32.8 mtp -104.66 -46.94 4.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.697 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 1.2 t80 60.45 26.72 16.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 54.2 p -76.41 -150.56 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.485 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 4.2 t -115.93 57.13 1.35 Allowed Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.22 151.92 66.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.01 2.474 . . . . 0.0 111.668 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.96 139.2 89.54 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.587 1.525 . . . . 0.0 110.55 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.489 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 44.4 Cg_endo -70.55 137.3 32.86 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.005 1.803 . . . . 0.0 114.54 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.685 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 66.1 Cg_endo -76.64 -55.96 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.27 2.647 . . . . 0.0 113.141 178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.52 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -95.59 -168.69 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.447 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp -179.45 38.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -94.4 -172.47 38.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.5 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.43 -178.24 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.403 -1.22 . . . . 0.0 112.52 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.49 -67.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 t70 56.85 72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.7 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.52 -12.6 3.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.753 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.772 ' HB2' HD13 ' A' ' 678' ' ' LEU . 40.3 m -47.12 -28.21 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.785 0.326 . . . . 0.0 111.694 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.91 -65.82 0.63 Allowed 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.1 tp60 -70.68 -16.92 62.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.472 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.14 -36.23 21.22 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.205 179.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.644 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.05 -31.0 62.69 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -54.58 -30.53 54.71 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.274 0.559 . . . . 0.0 109.632 178.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.786 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 21.5 m-85 -70.07 -63.36 1.1 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.966 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.91 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.1 m-85 -58.93 -19.28 41.3 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.659 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.654 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -79.89 -0.81 36.5 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.464 178.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 28.8 t -161.84 22.79 0.11 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.348 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.91 HG12 ' HA ' ' A' ' 662' ' ' TYR . 1.0 OUTLIER -115.67 -10.27 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.982 178.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.09 40.14 0.53 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.059 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.4 ' HB2' ' CB ' ' A' ' 670' ' ' GLU . 0.0 OUTLIER 178.3 53.4 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -53.97 -52.58 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 121.415 0.626 . . . . 0.0 109.99 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -35.14 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.133 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.599 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -80.78 -27.24 36.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.253 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.829 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.33 -33.29 74.41 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -60.56 -22.36 63.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.664 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.829 HD13 ' HA ' ' A' ' 671' ' ' ALA . 1.7 mp -59.34 -53.51 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.022 178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.455 ' HA ' ' HB3' ' A' ' 655' ' ' SER . 1.5 mt-10 -45.62 -29.42 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.991 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.85 -32.95 72.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.725 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -31.25 71.15 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 655' ' ' SER . 5.3 tp -51.68 -35.26 41.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.012 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -56.66 -20.61 22.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.708 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -47.56 113.41 0.7 Allowed 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -153.03 32.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -101.06 35.15 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 120.561 0.219 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.58 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.546 2.164 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 161.52 45.66 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.483 2.122 . . . . 0.0 112.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.08 122.89 9.47 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.464 2.109 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -132.95 112.67 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -106.4 -69.71 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -131.9 108.53 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -176.64 102.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 46.0 mtp -134.67 -61.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.604 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 13.4 t80 -138.35 30.04 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -81.25 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.615 ' O ' HG13 ' B' ' 416' ' ' VAL . 7.2 p -164.14 53.03 0.33 Allowed Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 121.098 0.475 . . . . 0.0 111.224 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 20.2 Cg_endo -59.81 152.2 65.39 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.156 2.571 . . . . 0.0 111.886 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.492 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 37.8 Cg_exo -57.62 139.74 91.18 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 121.76 1.64 . . . . 0.0 110.755 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 13.8 Cg_exo -70.18 137.39 34.11 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.044 1.829 . . . . 0.0 113.975 -177.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.786 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.7 Cg_exo -76.21 -71.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.427 2.751 . . . . 0.0 113.143 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.597 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -84.34 -164.33 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -178.521 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.426 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.3 OUTLIER -177.54 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 110.525 -179.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -116.37 -116.22 2.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.51 -176.89 5.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.519 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 64.69 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.88 34.19 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -79.12 -9.25 59.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.657 179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.722 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 67.0 m -43.12 -30.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.85 -66.1 0.59 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.14 0.495 . . . . 0.0 111.002 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.541 ' C ' ' HG2' ' A' ' 660' ' ' GLU . 2.7 tt0 -74.22 -7.08 51.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.868 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.549 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.6 OUTLIER -95.54 -32.66 12.74 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -78.63 -33.35 47.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' C ' ' A' ' 657' ' ' GLN . 16.0 pt-20 -53.27 -32.96 51.16 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.896 ' O ' HG13 ' A' ' 665' ' ' VAL . 12.4 m-85 -64.85 -65.49 0.67 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.774 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.821 ' HA ' HG22 ' A' ' 665' ' ' VAL . 33.9 m-85 -57.14 -20.38 25.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.721 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.604 ' HA ' HG13 ' A' ' 668' ' ' ILE . 5.2 mtp180 -80.06 -0.36 35.3 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.854 178.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 25.9 t -160.91 17.72 0.12 Allowed 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.4 m -114.31 -8.9 12.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.737 0.303 . . . . 0.0 110.293 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.12 42.95 0.38 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.368 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 178.57 48.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 117.06 0.43 . . . . 0.0 111.822 179.489 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -51.67 -52.68 20.27 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 CA-C-O 121.475 0.655 . . . . 0.0 110.154 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.91 -37.15 42.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.201 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 7.0 tt0 -79.89 -26.82 40.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.824 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.81 -34.31 75.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.06 -22.97 61.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -74.08 -33.29 63.59 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -65.59 -45.0 93.62 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -27.4 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.304 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -37.7 88.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.176 178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.459 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.65 -22.12 63.48 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -59.19 -32.05 69.57 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -54.27 -24.49 19.06 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.441 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -50.24 94.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.003 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.6 33.15 5.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 60.54 35.42 20.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.981 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.732 0.301 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.47 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 32.5 Cg_exo -56.88 -47.15 24.64 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.574 2.183 . . . . 0.0 112.554 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 97.7 Cg_endo -79.79 156.25 24.03 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.373 2.049 . . . . 0.0 112.379 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.96 135.19 29.36 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -151.49 -73.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 60.51 158.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -164.35 -66.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -144.19 106.56 4.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.2 ttp -176.45 -52.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.644 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -104.95 -74.11 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.806 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t 45.17 -157.23 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.08 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.535 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.7 t -133.31 55.95 18.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-O 120.725 0.298 . . . . 0.0 111.566 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.535 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 35.3 Cg_exo -59.92 151.79 69.05 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.734 2.289 . . . . 0.0 111.801 179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -58.26 139.92 92.36 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 121.853 1.702 . . . . 0.0 110.656 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 36.6 Cg_endo -67.93 137.54 41.64 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.991 1.794 . . . . 0.0 113.844 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.602 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.97 -57.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.328 2.685 . . . . 0.0 112.763 178.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -87.98 -170.94 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.268 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.461 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 0.2 OUTLIER -179.49 38.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.64 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -90.2 -121.18 2.22 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.516 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 60.44 97.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.476 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -132.61 -75.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 56.73 71.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.073 0.463 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.712 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -131.43 -19.63 2.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.56 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.78 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.3 OUTLIER -45.16 -28.6 0.78 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.472 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -63.38 -66.91 0.48 Allowed 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.209 0.528 . . . . 0.0 110.673 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.7 tt0 -70.22 -17.13 63.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.231 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.467 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.4 OUTLIER -83.56 -34.36 25.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.082 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.537 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -72.62 -36.11 67.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -52.07 -30.31 25.34 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.327 0.584 . . . . 0.0 109.621 178.689 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.952 ' O ' HG13 ' A' ' 665' ' ' VAL . 13.5 m-85 -70.62 -61.52 1.74 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.779 179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.838 ' HA ' HG22 ' A' ' 665' ' ' VAL . 18.6 m-85 -61.97 -11.66 14.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.947 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.744 ' HA ' HG13 ' A' ' 668' ' ' ILE . 3.7 mmt-85 -77.57 -15.03 59.49 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.59 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 12.1 t -155.13 18.38 0.43 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.952 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.3 m -107.24 -14.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.82 52.57 0.2 Allowed Glycine 0 C--N 1.339 0.704 0 C-N-CA 120.028 -1.082 . . . . 0.0 113.544 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.796 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 174.35 40.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.376 179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.744 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.0 mp -49.97 -54.86 6.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.281 0.563 . . . . 0.0 110.547 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -47.36 -52.89 15.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.583 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.7 tt0 -70.35 -24.21 62.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.62 -35.12 76.98 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -56.91 -24.85 55.24 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.04 -38.05 72.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.729 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.687 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.1 mp -61.34 -45.24 99.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.663 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 678' ' ' LEU . 1.7 tt0 -49.04 -25.9 2.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.426 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.54 -27.01 64.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.926 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.443 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -65.54 -26.98 68.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.778 0.323 . . . . 0.0 110.149 179.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.7 mp -54.61 -33.61 60.74 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -57.08 -21.92 35.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.541 179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -49.64 -30.01 8.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.71 33.79 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -98.86 34.03 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.873 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.746 0.308 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 154.74 66.42 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.591 2.194 . . . . 0.0 112.266 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 156.29 7.84 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.536 2.158 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.15 179.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.647 2.231 . . . . 0.0 112.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.86 160.25 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -146.13 177.36 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 -176.53 121.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.51 36.03 20.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.92 -79.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.541 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -170.39 165.88 8.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 14.3 t -71.38 -84.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.695 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.609 ' O ' HG13 ' B' ' 416' ' ' VAL . 11.6 p -175.69 59.58 0.19 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.456 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 39.5 Cg_exo -59.94 151.87 68.62 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.882 2.388 . . . . 0.0 111.911 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 15.3 Cg_endo -58.15 139.97 92.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.969 1.78 . . . . 0.0 110.528 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 27.9 Cg_exo -63.36 136.9 57.61 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.72 1.613 . . . . 0.0 113.635 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.817 ' CG ' HG11 ' A' ' 665' ' ' VAL . 56.4 Cg_endo -77.22 -67.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.167 2.578 . . . . 0.0 113.77 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.646 HD13 ' HA ' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -90.41 -162.87 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.432 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.5 tp -178.36 37.7 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.694 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -72.34 152.55 48.3 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.618 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.6 ttp85 -172.47 89.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.539 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 52.61 90.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.725 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.608 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -151.65 63.22 0.87 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.586 -179.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.767 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -126.93 8.34 6.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.342 0.592 . . . . 0.0 110.324 179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -117.09 -50.63 2.57 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.901 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 24.7 tt0 -86.43 -3.48 59.01 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.72 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.608 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -99.94 -35.08 9.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.796 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -71.89 -30.35 65.31 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 24.2 pt-20 -52.62 -34.76 52.64 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.781 178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.838 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -67.23 -57.42 6.73 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.586 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.869 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -62.84 -22.96 67.04 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.287 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.679 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 1.2 ptt85 -91.83 31.79 1.19 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 119.726 -0.789 . . . . 0.0 110.205 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.67 26.31 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.92 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.5 p -128.21 -0.49 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.74 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 122.34 23.64 2.35 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.583 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.406 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -179.76 70.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 117.58 0.69 . . . . 0.0 112.524 179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.1 mp -61.52 -45.24 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-O 121.528 0.68 . . . . 0.0 109.92 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.75 -36.02 34.47 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.303 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.555 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.1 mp0 -80.84 -26.32 37.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.62 -33.33 74.78 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.07 -21.36 61.35 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -72.42 -34.56 67.92 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.615 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -65.89 -43.43 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 CA-C-O 121.195 0.521 . . . . 0.0 109.749 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -25.08 7.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.383 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.79 -27.75 61.3 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.647 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -25.96 67.95 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.743 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -53.43 -34.5 58.07 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.86 178.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.5 -21.31 51.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.603 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 30.2 t-20 -52.94 125.08 15.93 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.073 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -163.74 52.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 61.5 61.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.702 0.286 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.58 111.52 2.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.34 -45.42 34.82 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.432 2.088 . . . . 0.0 112.481 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' B' ' 407' ' ' PRO . 61.8 Cg_exo -51.66 105.38 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.273 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -170.29 95.41 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -160.64 115.38 2.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.44 122.51 46.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -156.97 176.06 13.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 14.1 mtm -99.77 32.57 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.664 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 9.1 t80 -144.39 27.17 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 12.3 t -85.91 -88.14 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.552 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 12.0 t -153.72 57.77 2.01 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.774 0.321 . . . . 0.0 111.413 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.14 151.03 66.71 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.822 2.348 . . . . 0.0 111.631 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.93 139.3 90.25 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.89 1.727 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 661' ' ' TYR . 44.5 Cg_endo -70.62 137.87 33.88 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.033 1.822 . . . . 0.0 113.783 -178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.838 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 3.5 Cg_exo -75.98 -60.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.268 2.645 . . . . 0.0 112.529 178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.537 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -95.83 -161.97 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -178.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.413 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.8 pp -176.93 37.16 0.0 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.855 0.36 . . . . 0.0 110.635 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -59.93 139.52 48.37 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.548 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.94 89.09 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.474 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.97 87.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -88.64 54.77 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.545 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -83.9 -6.78 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.868 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.703 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 1.8 t -45.18 -30.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.37 -66.62 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.038 0.447 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 5.1 tt0 -69.74 -17.71 63.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.628 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.545 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.4 OUTLIER -85.34 -35.01 21.69 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.459 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -74.14 -31.37 62.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.2 OUTLIER -55.42 -29.85 59.37 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.148 179.114 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.725 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 30.7 m-85 -71.04 -59.17 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.387 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.861 ' HA ' HG12 ' A' ' 665' ' ' VAL . 47.0 m-85 -58.86 -26.68 64.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.692 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.713 ' HA ' ' HA ' ' A' ' 668' ' ' ILE . 6.5 ptt180 -90.48 29.84 1.23 Allowed 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.969 177.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 33.4 t -178.81 19.77 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.022 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -127.08 1.15 3.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.457 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.06 41.9 1.04 Allowed Glycine 0 C--N 1.337 0.6 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.085 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 175.48 55.93 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.224 0.512 . . . . 0.0 112.331 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.713 ' HA ' ' HA ' ' A' ' 663' ' ' ARG . 1.4 mp -56.95 -50.92 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 CA-C-O 121.433 0.635 . . . . 0.0 109.995 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -35.34 42.44 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.107 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.568 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 11.0 tt0 -82.04 -26.91 33.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.733 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.95 -33.59 74.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -58.37 -23.01 55.75 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.34 -37.76 74.73 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.411 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.6 mp -63.45 -43.41 98.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.437 ' HA ' ' OG ' ' A' ' 655' ' ' SER . 2.2 mm-40 -47.92 -28.06 2.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.081 179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -32.31 71.78 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.166 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.0 OUTLIER -66.98 -30.17 70.21 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.629 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.3 OUTLIER -52.08 -32.78 36.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.907 179.053 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -56.36 -21.91 27.65 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.562 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.425 ' ND2' HG22 ' A' ' 677' ' ' THR . 55.6 m-20 -47.12 -28.9 1.95 Allowed 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 32.32 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 60.4 35.21 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.919 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.448 ' CB ' ' HD3' ' B' ' 406' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.502 ' HB2' ' HD3' ' B' ' 407' ' ' PRO . 52.5 Cg_exo -52.81 -51.57 10.82 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.401 2.067 . . . . 0.0 112.723 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.502 ' HD3' ' HB2' ' B' ' 406' ' ' PRO . 58.9 Cg_endo -71.42 110.54 2.88 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.224 1.949 . . . . 0.0 112.357 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.57 -43.8 2.6 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.385 2.057 . . . . 0.0 112.316 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.71 75.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -164.18 31.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -177.01 80.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -156.72 -60.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 8.1 ptm -176.7 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.7 t80 -97.57 24.61 6.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 52.7 p -73.02 -148.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.427 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.608 ' O ' HG13 ' B' ' 416' ' ' VAL . 11.0 p -115.25 56.92 1.07 Allowed Pre-proline 0 CA--C 1.533 0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.438 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -66.02 152.21 81.93 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.147 2.565 . . . . 0.0 111.763 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.497 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 13.5 Cg_endo -57.63 139.4 90.1 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.68 1.586 . . . . 0.0 110.485 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.621 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 12.4 Cg_exo -70.51 137.43 33.26 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.006 1.804 . . . . 0.0 113.963 -177.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.725 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.38 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.428 2.752 . . . . 0.0 113.001 178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -80.45 -169.24 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -178.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.437 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.4 tt -178.01 37.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.723 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -86.85 -112.32 0.91 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -171.52 35.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.331 -1.261 . . . . 0.0 112.572 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -172.02 75.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.835 0.35 . . . . 0.0 111.028 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 678' ' ' LEU . 86.0 m-20 -80.44 79.12 7.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.797 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.676 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -122.06 -9.13 8.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.817 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.777 ' OG ' HD13 ' A' ' 678' ' ' LEU . 11.0 p -46.02 -31.91 2.52 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.74 -64.33 0.95 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.056 0.455 . . . . 0.0 111.11 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -26.85 65.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.507 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -79.66 -31.15 41.42 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.507 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -76.72 -28.68 55.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.28 -33.42 41.93 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.178 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.706 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 33.7 m-85 -72.86 -59.69 2.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.839 ' HA ' HG12 ' A' ' 665' ' ' VAL . 28.6 m-85 -59.48 -21.15 59.69 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.501 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.741 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -80.71 -3.57 51.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.673 178.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.3 t -162.23 23.96 0.11 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.557 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.839 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.5 p -121.85 -5.91 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.013 178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 112.02 53.11 0.52 Allowed Glycine 0 C--N 1.338 0.688 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.504 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 662' ' ' TYR . 3.4 tptt 176.24 38.89 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.606 0.203 . . . . 0.0 111.513 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -49.52 -55.71 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-O 121.425 0.631 . . . . 0.0 110.166 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -35.2 36.82 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.337 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 3.4 tp10 -81.07 -26.55 36.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.317 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.741 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -62.51 -34.64 77.28 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.63 -23.59 66.15 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -78.01 -33.86 51.0 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.726 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.604 HD13 ' CD2' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -62.29 -49.16 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.316 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.849 178.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -48.09 -28.12 2.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.787 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -66.71 -27.82 67.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 110.282 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -31.23 72.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.013 179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.777 HD13 ' OG ' ' A' ' 655' ' ' SER . 1.7 tp -51.46 -36.4 44.03 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.861 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -57.59 -20.42 32.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.624 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -46.49 -30.48 2.22 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.204 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -119.41 33.11 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 60.15 32.06 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.924 179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' B' ' 406' ' ' PRO . 12.3 mtm105 . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 85.4 Cg_exo -46.49 -43.95 21.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.568 2.179 . . . . 0.0 113.341 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 22.9 Cg_exo -65.42 111.25 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.444 2.096 . . . . 0.0 112.164 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.41 -177.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.405 2.07 . . . . 0.0 112.308 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.91 -44.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 68.22 -69.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -105.63 163.5 12.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -148.41 84.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -105.99 -32.69 8.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.502 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 6.5 t80 -63.31 -54.85 30.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 24.8 t 53.44 -160.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.532 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 6.2 t -134.26 55.49 15.14 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 33.9 Cg_exo -59.73 152.05 65.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.789 2.326 . . . . 0.0 111.66 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.68 139.39 90.09 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.661 1.574 . . . . 0.0 110.513 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.499 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 42.2 Cg_endo -70.42 137.05 32.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 121.874 1.716 . . . . 0.0 114.602 -177.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.706 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 70.1 Cg_endo -76.68 -56.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.36 2.707 . . . . 0.0 113.454 178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.842 ' O ' HD22 ' B' ' 422' ' ' LEU . 0.1 OUTLIER -95.25 179.44 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.413 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 421' ' ' ILE . 1.1 mm? -154.51 29.03 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.303 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.46 142.16 15.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.616 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.49 117.69 25.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.477 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.559 -0.216 . . . . 0.0 112.559 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.81 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 12.3 t70 50.8 89.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.149 0.5 . . . . 0.0 110.64 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.528 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.64 -8.23 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.197 -179.397 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.596 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.86 -28.01 5.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.683 0.278 . . . . 0.0 111.528 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -65.29 -67.66 0.42 Allowed 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 15.5 tt0 -69.17 -21.02 64.01 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.147 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.672 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -80.84 -33.43 34.6 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.102 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -74.45 -27.54 60.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -56.91 -30.82 64.3 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.881 ' O ' HG13 ' A' ' 665' ' ' VAL . 31.2 m-85 -66.76 -66.42 0.56 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.887 0.851 . . . . 0.0 109.504 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.761 ' HA ' HG22 ' A' ' 665' ' ' VAL . 27.6 m-85 -55.98 -18.38 9.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.258 -1.337 . . . . 0.0 111.422 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.699 ' HD2' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -83.15 -0.41 49.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.889 178.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 41.3 t -162.32 16.45 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -112.06 -10.98 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 125.78 45.26 0.24 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 120.357 -0.925 . . . . 0.0 113.557 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.2 46.23 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 117.137 0.468 . . . . 0.0 111.854 179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.02 -51.82 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.349 0.595 . . . . 0.0 110.061 179.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.52 -39.92 50.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.108 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 6.8 tt0 -77.96 -27.14 49.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 663' ' ' ARG . . . -61.25 -33.4 73.45 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -60.57 -25.21 66.02 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -71.71 -41.65 68.3 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.866 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.654 HD13 ' CD2' ' A' ' 662' ' ' TYR . 2.4 mp -59.85 -43.69 92.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.502 178.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -26.69 2.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.221 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.78 -29.06 62.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.478 ' HG1' ' HB2' ' A' ' 655' ' ' SER . 0.2 OUTLIER -63.84 -28.27 69.74 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.939 0.4 . . . . 0.0 109.939 179.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 656' ' ' ALA . 0.1 OUTLIER -52.71 -34.89 54.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.953 179.271 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.0 -22.11 35.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.649 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -51.41 131.39 28.76 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 34.54 24.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -138.43 34.46 2.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.772 0.32 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.54 105.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.565 2.177 . . . . 0.0 112.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.451 ' N ' ' HD2' ' B' ' 408' ' ' PRO . 32.2 Cg_exo -57.12 -46.97 24.99 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.698 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' B' ' 407' ' ' PRO . 98.2 Cg_endo -80.05 57.63 6.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.343 2.029 . . . . 0.0 112.408 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -174.04 36.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -133.11 -50.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 68.9 m80 60.59 87.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -102.62 -31.54 10.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.8 ttt -63.75 157.59 23.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.484 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 0.1 OUTLIER -167.59 36.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.43 166.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.39 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.03 122.04 63.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.484 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.672 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 20.4 Cg_endo -61.49 152.9 70.09 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 123.539 2.826 . . . . 0.0 114.583 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.501 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 36.0 Cg_exo -57.15 156.44 24.83 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 124.289 3.326 . . . . 0.0 112.382 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -53.23 154.84 13.31 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.09 2.527 . . . . 0.0 111.683 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.641 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 93.0 Cg_exo -49.16 123.7 10.46 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.839 2.359 . . . . 0.0 113.561 -174.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -44.58 -61.79 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.848 -178.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.467 HD23 ' O ' ' B' ' 422' ' ' LEU . 0.7 OUTLIER -176.72 37.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 110.621 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -98.99 179.91 31.41 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -176.5 82.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.46 -1.189 . . . . 0.0 112.513 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -81.61 -65.68 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 27.7 t0 53.0 85.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.276 0.56 . . . . 0.0 110.914 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.551 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -143.1 6.55 1.55 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.604 -179.517 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.698 ' HB2' ' HG1' ' A' ' 677' ' ' THR . 0.2 OUTLIER -69.34 -16.49 63.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.686 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.449 ' N ' ' CD1' ' A' ' 678' ' ' LEU . . . -80.79 -58.84 2.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.22 0.534 . . . . 0.0 110.6 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 46.3 tt0 -67.48 -26.28 66.29 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.351 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -73.98 -32.87 63.63 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.096 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.934 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -69.47 -32.78 71.91 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.895 179.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 4.6 pt-20 -53.78 -33.37 55.73 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.264 0.554 . . . . 0.0 109.704 179.055 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.835 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 14.8 m-85 -68.73 -62.76 1.25 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.252 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.93 ' HA ' HG12 ' A' ' 665' ' ' VAL . 24.2 m-85 -59.45 -20.71 57.21 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.885 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.697 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -74.4 -7.44 52.93 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.608 179.028 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.5 t -156.77 18.71 0.32 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.81 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.9 OUTLIER -110.37 -11.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.414 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.04 37.68 0.74 Allowed Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.419 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 671' ' ' ALA . 1.1 mttm -167.2 44.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.601 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -54.98 -56.04 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.258 0.552 . . . . 0.0 110.515 179.743 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -48.28 46.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.206 179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mt-10 -72.44 -24.07 61.16 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.697 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -65.48 -20.29 66.29 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.843 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.62 -12.61 60.49 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -81.12 -35.58 31.41 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.29 177.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.934 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.2 OUTLIER -55.65 -56.37 12.57 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.661 178.742 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.26 -26.39 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.057 -179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -31.73 68.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.961 178.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 680' ' ' ASN . 0.1 OUTLIER -63.54 -28.56 70.03 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.185 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 656' ' ' ALA . 1.1 tp -50.99 -36.48 39.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.042 179.069 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -55.91 -21.63 21.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.787 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' A' ' 677' ' ' THR . 13.3 m120 -49.55 124.57 9.69 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -164.66 32.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -117.44 34.45 5.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.932 179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 25.0 mtt-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.693 0.282 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 159.73 52.21 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.569 2.18 . . . . 0.0 112.259 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 111.79 2.9 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.582 2.188 . . . . 0.0 112.28 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.4 -28.52 35.65 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.439 2.093 . . . . 0.0 112.266 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -165.17 134.12 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.0 -59.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -131.73 33.38 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -156.32 134.87 11.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 5.5 mtt -98.21 -74.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 674' ' ' ILE . 10.9 t80 59.67 23.86 12.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 36.9 m -80.45 -87.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.752 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.555 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 13.7 t -153.8 57.32 1.84 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.301 . . . . 0.0 111.357 179.438 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.555 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.6 Cg_exo -70.01 151.25 67.59 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.925 2.417 . . . . 0.0 111.534 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 417' ' ' PRO . 31.6 Cg_exo -58.44 139.1 89.29 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 121.686 1.591 . . . . 0.0 110.826 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.479 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 47.4 Cg_endo -70.78 137.7 33.02 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.128 1.886 . . . . 0.0 113.982 -178.286 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.835 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.0 Cg_exo -76.12 -59.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.202 2.602 . . . . 0.0 112.506 178.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -96.52 -163.19 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.901 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 6.1 tp -177.92 37.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.64 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -81.38 82.33 1.57 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.581 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -152.94 147.37 25.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.303 -1.276 . . . . 0.0 112.553 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -166.8 -64.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 52.77 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.227 0.537 . . . . 0.0 110.738 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.515 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -149.55 50.33 0.94 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.468 -179.476 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.79 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -111.32 -21.33 11.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.842 -179.663 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.674 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -87.09 -49.14 7.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.142 179.4 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.5 tt0 -73.64 -24.3 59.98 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -77.49 -35.57 53.48 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.101 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.868 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -68.69 -32.59 72.51 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.587 178.789 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 657' ' ' GLN . 0.4 OUTLIER -54.97 -29.69 57.45 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.192 0.52 . . . . 0.0 109.797 178.818 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.623 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 12.5 m-85 -72.55 -61.56 1.76 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.061 179.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 19.9 m-85 -60.96 -16.99 48.99 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.219 178.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.78 ' HA ' HG13 ' A' ' 668' ' ' ILE . 1.3 mmt85 -70.65 -12.77 61.77 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.415 178.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 7.6 t -157.36 18.46 0.28 Allowed 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.866 0.365 . . . . 0.0 111.874 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 0.5 OUTLIER -105.84 -15.39 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 118.84 40.12 0.67 Allowed Glycine 0 C--N 1.338 0.662 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.441 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.1 OUTLIER -165.45 40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.246 -0.182 . . . . 0.0 111.441 -179.768 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.78 HG13 ' HA ' ' A' ' 663' ' ' ARG . 2.1 mp -53.14 -55.16 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.263 0.554 . . . . 0.0 110.466 179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -47.48 -56.21 7.49 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.305 179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.57 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.8 mm-40 -67.43 -22.82 65.49 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.803 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -64.38 -23.06 67.16 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.084 0.469 . . . . 0.0 109.815 178.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -69.63 -14.37 62.79 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -77.8 -42.25 34.51 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.391 177.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.868 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.0 OUTLIER -51.39 -54.42 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.011 178.797 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.24 -23.93 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.004 -179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -29.34 61.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.981 179.051 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.597 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.0 OUTLIER -64.88 -26.44 68.32 Favored 'General case' 0 C--N 1.334 -0.1 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.14 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -52.51 -35.36 53.02 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.154 0.502 . . . . 0.0 109.897 179.01 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -57.41 -21.15 34.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.61 179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.9 m-20 -51.53 -34.79 37.95 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.795 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -136.7 34.9 2.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -129.95 32.11 4.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.896 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.711 0.291 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 58.3 Cg_endo -71.65 105.25 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.605 2.203 . . . . 0.0 112.314 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.435 ' N ' ' HD2' ' B' ' 408' ' ' PRO . 2.5 Cg_endo -43.18 -57.5 1.75 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.719 2.279 . . . . 0.0 112.673 -179.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 407' ' ' PRO . 45.3 Cg_endo -68.19 82.46 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.382 2.055 . . . . 0.0 112.207 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -81.7 172.97 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.27 31.31 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -80.65 -67.96 0.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -166.35 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 9.8 ttp 58.7 106.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 674' ' ' ILE . 2.3 m-85 -75.55 -43.26 49.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 51.1 m 59.08 -172.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.4 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 12.0 t -120.15 53.7 2.93 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.97 0.414 . . . . 0.0 111.417 179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 52.3 Cg_endo -68.69 151.63 74.64 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.932 2.422 . . . . 0.0 111.638 179.334 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.18 139.31 90.02 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.694 1.596 . . . . 0.0 111.087 -179.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.487 ' HB2' ' OH ' ' A' ' 661' ' ' TYR . 48.4 Cg_endo -70.5 138.34 35.24 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.301 2.0 . . . . 0.0 114.01 -178.195 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.669 ' HG3' HG21 ' A' ' 665' ' ' VAL . 67.5 Cg_endo -75.88 -54.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.941 2.427 . . . . 0.0 113.059 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.6 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -104.73 -161.8 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -179.115 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.419 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 1.8 pp -177.55 37.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 110.607 -179.796 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -109.72 -151.64 13.78 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.545 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -87.14 -170.79 3.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -146.1 -69.29 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.52 35.49 22.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -73.65 -8.39 55.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.766 179.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 65.5 m -44.47 -32.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.525 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.505 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -64.25 -66.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.106 0.479 . . . . 0.0 110.679 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.0 -22.11 65.01 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.607 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -84.57 -27.68 27.12 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.43 -179.447 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.585 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -85.42 -28.86 24.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 178.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.48 -35.97 61.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.666 177.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.91 ' O ' HG13 ' A' ' 665' ' ' VAL . 26.7 m-85 -67.09 -62.46 1.42 Allowed 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.02 179.589 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.675 ' HB2' ' HB2' ' A' ' 671' ' ' ALA . 29.5 m-85 -58.26 -22.4 52.28 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.563 178.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.731 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -76.39 -5.81 48.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.315 179.358 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 6.0 t -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' ' 661' ' ' TYR . 8.5 m -114.08 -7.83 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 667' ' ' LYS . . . 118.44 51.42 0.32 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.843 179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 671' ' ' ALA . 2.1 mttm 179.81 38.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.626 0.213 . . . . 0.0 111.453 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.16 -55.54 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 121.439 0.638 . . . . 0.0 110.226 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -38.86 52.31 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.375 179.546 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.62 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.5 tm-20 -79.39 -25.69 42.1 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.873 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -62.49 -34.45 76.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.444 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.78 -22.17 61.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.62 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -76.47 -34.89 58.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.203 178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.873 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.2 mp -63.78 -46.34 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.181 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -48.54 -27.36 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.52 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -38.11 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.161 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.449 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.0 OUTLIER -69.44 -21.86 63.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.529 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.511 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -59.18 -31.96 69.48 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.897 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -24.59 19.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.288 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -50.15 121.79 5.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.144 179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -156.83 32.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 59.99 34.07 21.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.92 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.78 0.324 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.12 154.6 66.16 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.585 2.19 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.96 166.49 27.68 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.527 2.151 . . . . 0.0 112.3 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 165.36 31.55 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.571 2.181 . . . . 0.0 112.294 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . 60.43 106.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -98.33 -66.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 3.0 m170 64.12 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -175.91 -67.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 6.8 ptm -81.66 -174.64 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.686 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 2.8 t80 60.45 29.94 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 9.3 t -94.13 -89.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.769 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.462 ' N ' ' CD ' ' B' ' 417' ' ' PRO . 4.2 t -153.25 49.73 0.53 Allowed Pre-proline 0 CA--C 1.531 0.221 0 CA-C-O 120.792 0.33 . . . . 0.0 111.207 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' B' ' 416' ' ' VAL . 56.5 Cg_endo -69.73 151.58 69.27 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.906 2.404 . . . . 0.0 111.76 179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.15 139.36 90.19 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.669 1.579 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.498 ' CB ' ' CZ ' ' A' ' 661' ' ' TYR . 47.9 Cg_endo -70.78 137.51 32.63 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.147 1.898 . . . . 0.0 114.112 -178.038 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.728 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.1 Cg_exo -76.54 -58.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.319 2.68 . . . . 0.0 112.578 178.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -90.63 -170.93 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.695 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.3 tp 179.68 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.39 . . . . 0.0 110.668 -179.622 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -93.94 -140.9 10.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.538 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -176.21 97.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.513 179.977 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 63.16 -81.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 50.69 76.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.933 0.397 . . . . 0.0 111.025 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.7 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -133.29 -18.12 2.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.126 -179.777 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.756 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -49.67 -26.87 4.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.648 0.261 . . . . 0.0 111.288 179.65 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.86 -65.56 0.67 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.058 0.456 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -70.69 -24.32 62.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.435 179.427 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.677 ' CG ' ' HG3' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -75.34 -34.5 61.2 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.237 179.853 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.557 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -71.53 -28.32 63.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 657' ' ' GLN . 3.6 pt-20 -54.83 -33.66 61.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.205 0.526 . . . . 0.0 109.676 178.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.885 ' O ' HG13 ' A' ' 665' ' ' VAL . 23.3 m-85 -65.65 -65.82 0.63 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.858 0.837 . . . . 0.0 109.589 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.792 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.5 m-85 -56.88 -18.22 12.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.458 -179.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.724 ' HD3' ' HB1' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -81.87 -1.87 49.15 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.878 178.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 29.6 t -161.15 15.58 0.1 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.885 HG13 ' O ' ' A' ' 661' ' ' TYR . 17.5 m -109.97 -11.89 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.226 178.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 126.16 45.36 0.23 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.478 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.443 ' HG3' ' HB3' ' A' ' 662' ' ' TYR . 0.0 OUTLIER 176.86 45.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.972 0.386 . . . . 0.0 111.734 179.396 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.606 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.7 mp -50.06 -52.87 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.008 179.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -36.14 39.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.099 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.2 tt0 -80.04 -27.87 39.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.269 178.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.724 ' HB1' ' HD3' ' A' ' 663' ' ' ARG . . . -61.51 -33.66 74.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.25 -25.41 65.66 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -73.38 -38.78 65.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.724 178.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.666 HD13 ' CD2' ' A' ' 662' ' ' TYR . 1.3 mp -60.79 -45.61 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.55 178.812 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.499 ' HA ' HD13 ' A' ' 678' ' ' LEU . 2.4 mt-10 -48.92 -26.08 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.512 179.449 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -68.63 -27.69 66.23 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.724 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.43 -30.22 71.38 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.756 HD12 ' CB ' ' A' ' 655' ' ' SER . 2.9 mp -51.81 -33.29 35.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.132 179.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -21.38 28.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.626 179.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.33 -78.67 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 10.3 pttp 44.65 31.25 0.61 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.387 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -176.78 73.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 24.6 m120 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.948 -179.941 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.776 0.322 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.453 ' N ' ' HD2' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.14 -47.15 24.03 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.544 2.163 . . . . 0.0 112.614 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' B' ' 406' ' ' PRO . 93.3 Cg_endo -80.72 109.29 2.22 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.388 2.059 . . . . 0.0 112.439 -179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 52.1 Cg_endo -69.34 -28.85 26.75 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.485 2.123 . . . . 0.0 112.204 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -156.5 -54.82 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -157.29 84.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -83.35 90.83 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.33 54.56 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 2.7 ttt 60.84 95.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.527 ' HZ ' HG12 ' A' ' 674' ' ' ILE . 16.6 t80 -60.32 -64.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 17.3 t 51.86 -90.85 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.947 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.635 HG12 ' HD2' ' B' ' 417' ' ' PRO . 0.2 OUTLIER -144.47 137.31 13.71 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-O 120.861 0.363 . . . . 0.0 110.587 179.328 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.677 ' HG3' ' CG ' ' A' ' 658' ' ' TRP . 50.9 Cg_endo -70.02 153.08 68.1 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.443 2.762 . . . . 0.0 114.617 -178.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.484 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 32.5 Cg_exo -57.32 156.9 23.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 124.195 3.263 . . . . 0.0 111.978 178.629 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.79 155.51 10.62 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.196 2.597 . . . . 0.0 111.257 -178.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.596 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 1.1 Cg_endo -48.39 118.38 3.24 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.947 2.431 . . . . 0.0 113.143 -174.518 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.623 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -49.87 166.16 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.653 -178.597 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 33.63 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.608 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -96.45 28.33 13.67 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.607 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -86.53 164.39 16.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.333 -1.26 . . . . 0.0 112.516 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -165.99 -69.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.058 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.6 t0 54.46 84.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.509 . . . . 0.0 110.764 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.571 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -139.53 -4.48 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -179.605 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.711 ' HA ' ' CG2' ' A' ' 674' ' ' ILE . 0.3 OUTLIER -43.55 -31.39 0.73 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.607 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 678' ' ' LEU . . . -66.82 -66.49 0.55 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.166 0.508 . . . . 0.0 110.702 179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -68.09 -19.91 64.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.536 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.3 OUTLIER -88.0 -25.01 23.35 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.264 -179.586 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.599 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -85.36 -28.19 25.36 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.179 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.97 -37.23 52.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.939 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.886 ' O ' HG13 ' A' ' 665' ' ' VAL . 36.2 m-85 -67.39 -61.04 2.1 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.643 ' HA ' HG22 ' A' ' 665' ' ' VAL . 25.7 m-85 -60.42 -18.32 50.08 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.873 179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.574 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -85.64 0.54 52.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.047 179.084 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 13.4 t -162.4 19.31 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' ' 661' ' ' TYR . 16.6 m -117.42 -7.37 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 178.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 121.27 52.07 0.24 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 120.43 -0.89 . . . . 0.0 113.419 178.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.633 ' HE2' HG23 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 169.26 45.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.977 0.389 . . . . 0.0 111.701 179.427 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.6 mp -50.87 -50.8 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 110.349 179.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -49.29 -44.2 43.91 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.289 179.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 10.8 mt-10 -76.57 -25.82 54.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -61.41 -34.07 74.76 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -57.06 -23.72 48.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -70.05 -39.43 75.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.377 179.158 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 671' ' ' ALA . 3.0 mp -64.57 -39.33 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.55 -26.04 7.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.043 179.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -74.31 -28.92 61.39 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.248 178.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 674' ' ' ILE . 0.1 OUTLIER -66.44 -29.14 69.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.83 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.598 HD12 ' CB ' ' A' ' 655' ' ' SER . 0.2 OUTLIER -52.41 -33.84 45.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.046 179.177 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -55.03 -23.73 21.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.567 179.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -51.06 95.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.122 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -167.84 36.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -127.69 35.25 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.955 -179.944 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.421 ' HA ' ' HD2' ' B' ' 407' ' ' PRO . 56.0 Cg_endo -70.34 110.12 2.59 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.594 2.196 . . . . 0.0 112.287 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' B' ' 406' ' ' PRO . 53.3 Cg_endo -69.39 156.65 63.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.431 2.087 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.93 149.57 65.99 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -76.23 -175.55 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -59.82 -167.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -153.5 -165.05 2.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 69.73 -66.37 0.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 10.0 ttm -162.04 -43.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.683 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 4.8 t80 -82.87 56.63 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.3 p -111.48 -82.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.605 179.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.607 ' O ' HG13 ' B' ' 416' ' ' VAL . 10.7 p -164.51 55.77 0.45 Allowed Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 111.559 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.59 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 11.7 Cg_exo -69.94 151.74 68.16 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.037 2.491 . . . . 0.0 111.597 179.349 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -58.35 139.33 90.16 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.74 1.627 . . . . 0.0 110.602 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 661' ' ' TYR . 54.7 Cg_endo -70.87 137.04 31.39 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 121.94 1.76 . . . . 0.0 114.151 -177.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.748 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.5 Cg_exo -76.94 -57.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.289 2.659 . . . . 0.0 112.637 178.538 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.64 ' CG2' HG12 ' A' ' 665' ' ' VAL . 0.0 OUTLIER -88.22 -169.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.4 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' B' ' 421' ' ' ILE . 2.6 pp 178.15 39.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.964 0.411 . . . . 0.0 110.62 -179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -119.43 -109.15 2.3 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.584 -179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -151.66 -178.47 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.506 179.974 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -100.58 36.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.99 70.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.077 0.465 . . . . 0.0 110.679 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.672 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -114.33 -16.09 12.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.595 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.781 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -48.75 -28.22 3.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.682 -179.577 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . 0.49 ' N ' HD11 ' A' ' 678' ' ' LEU . . . -65.98 -68.06 0.4 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.492 . . . . 0.0 110.821 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 5.0 tt0 -64.86 -22.37 66.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.116 179.764 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.461 ' O ' ' CD2' ' A' ' 662' ' ' TYR . 0.1 OUTLIER -76.74 -34.2 58.1 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.876 ' HB2' ' HB ' ' A' ' 674' ' ' ILE . . . -67.69 -42.91 81.29 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -43.58 -31.58 0.77 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.165 0.507 . . . . 0.0 110.277 179.044 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.623 ' CZ ' ' HB3' ' B' ' 419' ' ' PRO . 10.5 m-85 -72.17 -56.16 6.03 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 179.454 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.939 ' HA ' HG12 ' A' ' 665' ' ' VAL . 27.5 m-85 -66.85 -14.12 62.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.937 179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.641 ' HA ' HG13 ' A' ' 668' ' ' ILE . 13.3 mmm-85 -78.44 -8.26 58.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.334 178.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 11.4 t -157.39 21.53 0.29 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.646 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.939 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.1 p -109.14 -13.87 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.124 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 124.16 42.07 0.38 Allowed Glycine 0 C--N 1.336 0.553 0 C-N-CA 120.433 -0.889 . . . . 0.0 113.079 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.0 OUTLIER -179.34 49.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.742 0.271 . . . . 0.0 111.634 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -53.51 -52.34 33.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 CA-C-O 121.363 0.601 . . . . 0.0 110.487 179.208 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.1 -54.31 16.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.107 179.391 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 2.8 mp0 -68.12 -23.63 64.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.705 ' O ' HG12 ' A' ' 674' ' ' ILE . . . -66.54 -16.66 64.32 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.819 178.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.88 -8.11 58.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -85.44 -29.47 24.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.355 177.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.876 ' HB ' ' HB2' ' A' ' 659' ' ' ALA . 0.1 OUTLIER -60.67 -57.98 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.622 178.661 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.1 OUTLIER -45.46 -25.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.367 -179.628 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -69.48 -27.69 65.43 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.07 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.472 ' OG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.91 -25.39 67.86 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.199 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.781 HD12 ' CB ' ' A' ' 655' ' ' SER . 3.1 mp -53.48 -33.26 53.62 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.034 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.2 tpmt? -55.84 -20.51 15.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.659 178.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -46.13 -77.95 0.02 OUTLIER 'General case' 0 C--O 1.231 0.112 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.224 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.69 59.59 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -97.65 33.38 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.931 179.966 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' B' ' 407' ' ' PRO . 32.1 Cg_exo -57.34 -45.34 35.4 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.624 2.216 . . . . 0.0 112.558 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' B' ' 406' ' ' PRO . 64.8 Cg_exo -51.46 156.73 5.64 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.436 2.091 . . . . 0.0 112.301 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.06 115.23 2.02 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.559 2.172 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -158.52 127.17 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -62.47 178.2 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -70.71 101.85 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -142.08 140.02 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -163.73 140.62 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.589 ' CZ ' HD13 ' A' ' 674' ' ' ILE . 4.8 m-85 -106.35 -31.03 8.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.49 -160.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.37 -179.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.586 ' N ' ' HD3' ' B' ' 417' ' ' PRO . 0.1 OUTLIER -135.26 52.0 6.56 Favored Pre-proline 0 CA--C 1.532 0.266 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 179.713 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.586 ' HD3' ' N ' ' B' ' 416' ' ' VAL . 30.4 Cg_exo -59.85 152.4 64.15 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.696 2.264 . . . . 0.0 111.016 178.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' B' ' 419' ' ' PRO . 38.6 Cg_exo -57.23 139.22 89.43 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 121.26 1.306 . . . . 0.0 110.305 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 661' ' ' TYR . 11.9 Cg_exo -70.63 137.3 32.63 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.929 1.752 . . . . 0.0 113.912 -177.411 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 56.5 Cg_endo -76.77 -65.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.051 2.501 . . . . 0.0 113.371 179.151 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -93.43 -163.02 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.757 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' B' ' 424' ' ' ARG . 0.3 OUTLIER -176.51 36.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.79 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -91.35 49.62 2.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.545 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . 0.606 ' HD3' HD23 ' B' ' 422' ' ' LEU . 0.0 OUTLIER -86.8 -179.18 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.729 0.299 . . . . 0.0 110.885 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.497 179.993 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.081 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . -106.68 -71.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.4 t70 53.58 84.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.6 ' HD1' ' H ' ' A' ' 654' ' ' TYR . 0.0 OUTLIER -136.21 -8.43 2.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.204 -179.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.829 ' CB ' HD12 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -55.47 -28.0 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 111.069 179.61 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -62.31 -65.38 0.7 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.664 179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.428 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 21.0 tt0 -71.03 -20.94 62.33 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.105 179.762 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CG ' ' HG2' ' B' ' 417' ' ' PRO . 0.0 OUTLIER -79.33 -35.17 41.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.102 179.62 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.647 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -70.68 -34.24 71.77 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.3 OUTLIER -50.86 -31.34 17.03 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.244 178.917 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.632 ' CE1' ' HA ' ' B' ' 420' ' ' PRO . 34.1 m-85 -67.67 -61.06 2.06 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.568 0.699 . . . . 0.0 109.849 178.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.89 ' HA ' HG12 ' A' ' 665' ' ' VAL . 39.4 m-85 -60.07 -14.83 18.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.787 179.691 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.721 ' HA ' HG13 ' A' ' 668' ' ' ILE . 26.9 mmm-85 -80.23 -5.34 56.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.684 178.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 30.0 t -161.27 21.05 0.12 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.836 0.35 . . . . 0.0 111.672 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.89 HG12 ' HA ' ' A' ' 662' ' ' TYR . 2.4 p -107.72 -15.8 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.258 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 123.73 42.54 0.37 Allowed Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.139 179.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.65 ' HD3' HG13 ' A' ' 665' ' ' VAL . 0.0 OUTLIER 179.15 48.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.805 0.302 . . . . 0.0 111.693 179.629 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.721 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.8 mp -50.47 -53.15 13.42 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.417 0.627 . . . . 0.0 110.054 178.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.89 -47.04 43.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.293 179.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.607 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 1.2 tt0 -73.2 -25.29 60.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' ' 674' ' ' ILE . . . -60.91 -36.49 79.43 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -54.91 -24.69 24.73 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -69.24 -36.41 77.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.86 178.565 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.78 HD13 ' HA ' ' A' ' 671' ' ' ALA . 2.0 mp -61.7 -47.82 91.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.22 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 678' ' ' LEU . 0.2 OUTLIER -48.47 -25.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.842 -179.558 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -26.6 61.97 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.759 178.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.429 ' HG1' ' HB3' ' A' ' 655' ' ' SER . 0.2 OUTLIER -64.72 -29.17 70.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 179.093 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.829 HD12 ' CB ' ' A' ' 655' ' ' SER . 1.5 mp -51.39 -33.61 30.85 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.0 0.428 . . . . 0.0 109.935 179.211 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -55.78 -21.66 20.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.792 179.156 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 677' ' ' THR . 3.2 m-80 -52.16 -179.88 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt 45.31 39.06 3.98 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.364 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -125.74 32.1 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.874 -179.963 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' B' ' 406' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 120.664 0.269 . . . . 0.0 111.518 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' B' ' 405' ' ' ARG . 91.5 Cg_endo -81.99 112.22 2.29 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.597 2.198 . . . . 0.0 112.439 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.33 105.73 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.515 2.144 . . . . 0.0 112.35 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 -176.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.108 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -168.04 34.99 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.55 -73.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -143.69 107.3 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -174.97 129.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 1.1 mtt -75.87 95.21 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.725 ' CZ ' HG13 ' A' ' 674' ' ' ILE . 3.4 t80 -152.31 25.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -74.72 -82.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.619 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.47 109.04 11.2 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.897 0.379 . . . . 0.0 110.727 179.422 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . 0.589 ' HG2' ' CG ' ' A' ' 658' ' ' TRP . 45.8 Cg_exo -59.18 153.3 53.6 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 123.855 3.037 . . . . 0.0 114.351 -178.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . 0.543 ' O ' ' CZ ' ' A' ' 661' ' ' TYR . 44.9 Cg_exo -56.93 156.59 23.18 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 124.359 3.373 . . . . 0.0 112.371 179.612 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -53.31 154.81 13.71 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.222 2.615 . . . . 0.0 111.963 -178.008 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.632 ' HA ' ' CE1' ' A' ' 661' ' ' TYR . 91.3 Cg_exo -49.47 123.17 9.89 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.925 2.417 . . . . 0.0 113.539 -174.721 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.454 HD13 ' CD1' ' A' ' 661' ' ' TYR . 0.0 OUTLIER -47.65 -61.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.584 -178.881 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . . . . . . . . . 6.5 tp -175.9 36.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.719 -179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -79.71 71.18 2.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.575 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 60.52 105.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.533 179.933 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 651' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 652' ' ' ALA . . . . . . . . . . . . . . . 59.95 75.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -60.31 96.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.573 ' O ' ' HB2' ' A' ' 658' ' ' TRP . 0.0 OUTLIER -145.48 61.01 1.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.688 -179.778 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 655' ' ' SER . . . . . 0.663 ' HB2' ' HB3' ' A' ' 678' ' ' LEU . 0.4 OUTLIER -132.4 14.93 4.54 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.872 179.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 656' ' ' ALA . . . . . . . . . . . . . . . -115.0 -50.59 2.76 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.545 177.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 657' ' ' GLN . . . . . 0.441 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.4 tt0 -85.02 -19.71 31.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.83 178.541 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 654' ' ' TYR . 0.2 OUTLIER -82.41 -36.15 26.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 108.887 178.42 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 659' ' ' ALA . . . . . 0.782 ' HB2' ' CG2' ' A' ' 674' ' ' ILE . . . -69.4 -34.42 74.47 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.155 178.725 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 661' ' ' TYR . 0.4 OUTLIER -54.42 -29.97 50.97 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 121.273 0.559 . . . . 0.0 109.808 178.758 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 661' ' ' TYR . . . . . 0.808 ' CD1' ' HD2' ' B' ' 420' ' ' PRO . 11.9 m-85 -71.17 -58.86 3.15 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.084 179.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 662' ' ' TYR . . . . . 0.928 ' HA ' HG12 ' A' ' 665' ' ' VAL . 29.6 m-85 -62.4 -21.2 65.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.408 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.673 ' HA ' HG13 ' A' ' 668' ' ' ILE . 0.0 OUTLIER -73.1 -8.67 56.77 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.216 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 664' ' ' SER . . . . . . . . . . . . . 15.0 t -157.32 18.17 0.28 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 665' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 662' ' ' TYR . 4.3 p -112.93 -9.94 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 0.0 110.178 178.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . 120.05 35.3 0.9 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.703 179.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 671' ' ' ALA . 0.5 OUTLIER -163.76 43.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.494 0.188 . . . . 0.0 111.424 -179.894 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 668' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 663' ' ' ARG . 1.9 mp -55.27 -58.51 4.24 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.421 0.629 . . . . 0.0 110.088 179.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 669' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.94 -34.28 28.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.311 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 673' ' ' ALA . 4.1 tt0 -80.89 -28.2 36.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.35 178.222 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 662' ' ' TYR . . . -61.93 -33.69 74.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.428 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 675' ' ' GLU . 54.8 mt-10 -63.82 -20.96 66.19 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 177.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 673' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 670' ' ' GLU . . . -84.11 -29.12 27.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.149 177.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 674' ' ' ILE . . . . . 0.782 ' CG2' ' HB2' ' A' ' 659' ' ' ALA . 0.8 OUTLIER -66.05 -53.45 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.572 178.532 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.779 ' HA ' HD13 ' A' ' 678' ' ' LEU . 0.0 OUTLIER -47.18 -21.42 0.26 Allowed 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.834 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -5.38 57.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.235 -0.586 . . . . 0.0 111.392 179.182 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.435 ' CB ' ' OG ' ' A' ' 655' ' ' SER . 0.1 OUTLIER -93.93 -23.41 18.08 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.418 178.764 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 678' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 675' ' ' GLU . 0.0 OUTLIER -69.74 -16.64 63.35 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 119.807 -0.757 . . . . 0.0 109.765 179.167 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . 0.633 ' N ' HD23 ' A' ' 678' ' ' LEU . 19.7 mttt -65.13 -19.97 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 177.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 680' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -44.71 -32.32 1.47 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.284 179.573 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 681' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 38.69 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.958 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -161.32 31.99 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 683' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.704 0.287 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 406' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 111.63 2.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.614 2.209 . . . . 0.0 112.275 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 407' ' ' PRO . . . . . 0.427 ' HA ' ' HD2' ' B' ' 408' ' ' PRO . 62.1 Cg_exo -51.77 106.36 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.498 2.132 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 408' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' B' ' 407' ' ' PRO . 55.7 Cg_endo -70.01 -45.72 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.503 2.136 . . . . 0.0 112.243 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 409' ' ' ALA . . . . . . . . . . . . . . . -143.95 96.08 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.027 -179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 410' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -171.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.913 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 411' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.48 172.99 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 412' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -106.03 30.44 5.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 413' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.85 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 414' ' ' PHE . . . . . 0.485 ' CZ ' ' CG1' ' A' ' 674' ' ' ILE . 8.3 t80 -88.11 52.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.769 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 12.5 t -115.34 57.73 1.17 Allowed Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 120.867 0.365 . . . . 0.0 111.316 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 417' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -64.92 151.59 85.27 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.008 2.472 . . . . 0.0 111.947 179.322 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 418' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.43 139.71 91.69 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.985 1.79 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 419' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' B' ' 420' ' ' PRO . 42.4 Cg_endo -70.17 138.09 35.74 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.252 1.968 . . . . 0.0 114.011 -178.013 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 420' ' ' PRO . . . . . 0.808 ' HD2' ' CD1' ' A' ' 661' ' ' TYR . 4.2 Cg_exo -75.9 -65.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.352 2.701 . . . . 0.0 112.642 178.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 421' ' ' ILE . . . . . 0.577 HD13 ' HD1' ' A' ' 661' ' ' TYR . 0.1 OUTLIER -91.26 -160.36 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.829 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 422' ' ' LEU . . . . . 0.523 HD23 ' N ' ' B' ' 422' ' ' LEU . 1.7 pt? -177.0 37.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.907 0.384 . . . . 0.0 110.689 -179.793 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 423' ' ' GLY . . . . . . . . . . . . . . . -92.42 -48.55 2.99 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 -179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 424' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 60.33 102.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 425' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.532 -179.975 . . . . . . . . 0 0 . 1 stop_ save_