data_2knc_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 2knc _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 ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 981' ' ' THR . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 983' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.442 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.171 0.51 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.435 HG21 HD13 ' B' ' 714' ' ' ILE . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.507 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.526 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.401 HD12 HG23 ' B' ' 714' ' ' ILE . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.526 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . 0.471 ' O ' ' CG2' ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 980' ' ' LEU . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.267 0.556 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 714' ' ' ILE . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.601 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.401 ' CD1' ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.527 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.527 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.534 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.25 0.548 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.534 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.531 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.46 0.648 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 708' ' ' GLY . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.531 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 970' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 981' ' ' THR . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.527 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.26 0.553 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.527 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.3 tt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 986' ' ' ALA . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 982' ' ' ILE . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.548 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.519 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.505 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.54 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 972' ' ' GLY . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.439 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.536 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 974' ' ' LEU . 6.8 tp . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 970' ' ' LEU . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.469 ' NE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 972' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 716' ' ' LYS . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.469 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.481 ' NE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.009 0.433 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.481 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 980' ' ' LEU . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.476 ' NE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.414 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.476 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.441 ' O ' ' OG1' ' A' ' 981' ' ' THR . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.536 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.536 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.513 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.513 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.316 0.579 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.425 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . 0.446 ' O ' ' OG1' ' A' ' 981' ' ' THR . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.466 ' O ' ' HG3' ' A' ' 987' ' ' MET . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.642 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 972' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.501 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.956 0.408 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.432 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp . . . . . 0 C--O 1.208 -1.103 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 980' ' ' LEU . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 976' ' ' GLY . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.42 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 980' ' ' LEU . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 976' ' ' GLY . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.534 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . 0.404 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.534 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' TRP . . . . . 0.524 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.43 0.633 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 714' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 719' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.0 0 N-CA-C 119.719 2.648 . . . . 0.0 119.719 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -168.5 -122.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.14 . . . . 0.0 109.441 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 28.6 ttm -50.35 111.58 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 168.54 -45.98 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 961' ' ' GLU . 52.6 p 50.19 94.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.214 -1.168 . . . . 0.0 109.442 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.58 6.29 3.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 963' ' ' ALA . 62.7 mt-10 -97.63 33.66 2.01 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -49.28 92.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -164.13 -33.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.338 -0.851 . . . . 0.0 109.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 47.94 67.16 4.76 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.324 -0.86 . . . . 0.0 110.016 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -50.66 107.14 0.15 Allowed 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.875 2.384 . . . . 0.0 111.702 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.27 -28.29 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 0.0 110.353 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -51.39 51.83 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.733 1.254 . . . . 0.0 107.714 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -47.38 74.53 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.063 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.72 -44.88 93.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' THR . . . . . 0.438 ' H ' ' HG1' ' A' ' 981' ' ' THR . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.408 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 983' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.442 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.2 OUTLIER -56.67 -38.27 71.98 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 tptt -68.98 -41.72 77.5 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.809 0.814 . . . . 0.0 109.315 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 18.1 t -56.24 -1.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 O-C-N 121.476 -0.765 . . . . 0.0 109.36 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.32 -27.64 0.21 Allowed Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.403 ' O ' ' CD2' ' A' ' 992' ' ' PHE . 53.6 t80 -85.45 -12.82 51.0 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.568 -0.96 . . . . 0.0 109.771 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -7.83 22.85 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.535 1.159 . . . . 0.0 108.013 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -80.2 -43.43 21.52 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.247 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.691 ' C ' ' H ' ' A' ' 997' ' ' ARG . 67.7 mtp180 -77.88 -21.65 50.96 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.605 0.717 . . . . 0.0 111.907 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 8.2 t30 -64.48 17.15 0.02 OUTLIER 'General case' 0 C--N 1.276 -2.593 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.479 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.691 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.5 mmt85 -18.88 88.03 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 86.5 Cg_endo -82.94 5.87 6.16 Favored 'Trans proline' 0 CA--C 1.568 2.218 0 N-CA-C 116.15 1.558 . . . . 0.0 116.15 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 4.0 Cg_endo -97.96 39.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 CA-C-N 122.579 1.957 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 999' ' ' PRO . 14.2 tp 40.82 86.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.01 -108.48 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.057 -1.027 . . . . 0.0 110.345 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.98 120.14 13.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.259 -0.901 . . . . 0.0 110.318 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' 1004 ' ' ASP . 0.9 OUTLIER -68.55 -104.66 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.386 -0.821 . . . . 0.0 109.135 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' 1005 ' ' GLU . 39.0 t0 -57.73 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.812 -0.555 . . . . 0.0 109.54 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.533 ' H ' ' CG ' ' A' 1004 ' ' ASP . 6.6 mm-40 -53.96 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.03 -1.044 . . . . 0.0 109.812 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' 1006 ' ' GLU . 4.9 mp0 -80.14 134.05 36.12 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.431 -0.793 . . . . 0.0 109.635 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 159.0 123.84 0.73 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.229 -1.159 . . . . 0.0 109.598 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.53 4.907 0 N-CA-C 119.766 2.666 . . . . 0.0 119.766 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.76 77.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -1.124 . . . . 0.0 109.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 686' ' ' MET . . . . . 0.494 ' N ' ' O ' ' B' ' 684' ' ' GLY . 45.3 mtt 51.99 75.01 0.23 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.837 . . . . 0.0 109.822 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.19 -174.71 46.73 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 89.4 p -64.79 -150.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.428 -1.042 . . . . 0.0 109.665 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -142.6 -51.07 0.37 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.3 -0.875 . . . . 0.0 109.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.55 -58.78 12.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 52.1 Cg_exo -54.52 -131.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.718 2.279 . . . . 0.0 112.031 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' B' ' 694' ' ' LEU . 38.7 t0 -156.11 -31.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 4.0 tp 50.37 -1.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-O 121.329 0.585 . . . . 0.0 110.78 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.642 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.6 -52.64 9.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.473 -1.392 . . . . 0.0 109.082 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 36.9 t -57.15 -53.27 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.74 . . . . 0.0 110.072 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' B' ' 697' ' ' LEU . 3.4 m -59.21 -41.99 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 109.537 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.44 ' N ' ' CG2' ' B' ' 696' ' ' VAL . 49.7 tp -66.17 -38.85 89.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -45.15 66.82 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.294 -0.879 . . . . 0.0 108.674 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 9.4 t -64.53 -46.89 80.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.398 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.58 -52.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.726 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.435 HG21 HD13 ' B' ' 714' ' ' ILE . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . 0.408 ' CD1' ' NE2' ' B' ' 722' ' ' HIS . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m -76.33 -42.96 43.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.042 -1.037 . . . . 0.0 110.506 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . 0.408 ' NE2' ' CD1' ' B' ' 718' ' ' LEU . 6.0 m-70 -53.58 -29.01 35.35 Favored 'General case' 0 C--N 1.298 -1.63 0 O-C-N 120.81 -1.181 . . . . 0.0 108.954 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.99 -36.47 17.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.335 -0.853 . . . . 0.0 111.246 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -44.44 -33.3 1.64 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.885 -1.135 . . . . 0.0 110.478 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -59.09 3.97 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.888 -1.132 . . . . 0.0 109.567 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 730' ' ' PHE . 33.5 tt0 -64.28 -47.19 80.49 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -49.8 -40.12 40.64 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.03 -60.03 2.45 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -25.22 2.53 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.414 -0.803 . . . . 0.0 109.377 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' B' ' 726' ' ' GLU . 30.8 t80 -70.36 -60.75 2.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 109.258 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.84 -24.01 67.41 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.724 -0.61 . . . . 0.0 109.53 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.1 -44.49 84.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.98 -40.72 83.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.642 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -64.66 -24.08 67.46 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -0.909 . . . . 0.0 109.909 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.66 12.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.918 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' B' ' 740' ' ' ASP . 53.6 mtp85 -72.84 -42.15 64.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 110.139 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.08 22.9 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 109.893 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -64.66 -68.35 0.36 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -52.0 -19.65 1.96 Allowed 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' B' ' 738' ' ' LYS . 18.3 t70 -104.47 28.39 7.0 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.065 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 91.1 m -166.49 -20.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.961 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -84.77 11.82 8.44 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.465 0.65 . . . . 0.0 109.497 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -169.52 36.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.527 -0.733 . . . . 0.0 110.137 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -138.91 66.36 39.85 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.12 -0.987 . . . . 0.0 110.395 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -90.99 16.65 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 123.007 2.471 . . . . 0.0 112.04 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.63 -37.93 22.22 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -55.64 30.84 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -44.7 -36.44 3.14 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.355 0.598 . . . . 0.0 109.691 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -175.75 -76.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.225 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.439 ' O ' ' OG ' ' B' ' 752' ' ' SER . 0.6 OUTLIER -177.51 28.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.0 109.45 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 751' ' ' THR . 3.2 m 179.41 172.82 0.88 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.494 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 94.1 m -155.93 -84.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' B' ' 756' ' ' ASN . 11.1 t80 -70.91 -143.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.085 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.5 t 39.44 22.95 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.23 0.538 . . . . 0.0 110.496 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 754' ' ' PHE . 0.4 OUTLIER -105.55 34.56 3.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.473 -0.767 . . . . 0.0 109.1 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.619 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 2.8 mp -51.71 126.88 7.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.363 -0.836 . . . . 0.0 109.617 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.5 t -171.66 -164.43 0.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.401 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.18 112.33 1.5 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -80.92 -162.6 0.5 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.88 -95.53 0.1 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.506 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.961 0 N-CA-C 119.754 2.661 . . . . 0.0 119.754 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.88 34.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 109.391 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 21.4 mmt -80.0 39.86 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.324 -0.86 . . . . 0.0 109.419 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 176.98 156.18 15.23 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 60.5 p -171.41 131.23 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -1.141 . . . . 0.0 109.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 8.7 mp0 -80.67 7.59 9.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.231 -0.918 . . . . 0.0 109.586 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 962' ' ' ARG . 39.2 mt-10 -91.17 -82.2 0.3 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 961' ' ' GLU . 37.4 mmt-85 38.3 -110.48 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.865 -0.522 . . . . 0.0 110.399 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -179.82 28.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 109.1 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.489 ' C ' ' H ' ' A' ' 966' ' ' ILE . 14.5 mt 44.33 62.93 9.2 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.369 -0.832 . . . . 0.0 110.464 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 968' ' ' TRP . 52.3 Cg_exo -56.39 6.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.092 2.528 . . . . 0.0 113.264 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.489 ' H ' ' C ' ' A' ' 964' ' ' ILE . 4.8 mm -46.28 -22.53 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.057 . . . . 0.0 108.328 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -62.76 -51.53 66.78 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -56.94 -44.32 82.41 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.309 178.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.0 t -64.76 -46.13 93.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 966' ' ' ILE . 0.2 OUTLIER -56.61 -50.93 70.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.507 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.526 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.84 -38.14 89.99 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -68.83 -41.46 78.52 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.835 0.826 . . . . 0.0 108.919 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.474 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 13.7 t -57.11 -2.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -139.28 -27.15 0.25 Allowed Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.3 t80 -86.12 -15.35 41.38 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.608 -0.937 . . . . 0.0 109.848 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.25 -14.58 18.4 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.377 1.084 . . . . 0.0 108.358 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -71.41 -46.71 59.49 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 122.109 0.956 . . . . 0.0 108.465 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 997' ' ' ARG . 24.6 mtp85 -77.96 -130.17 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.457 0.646 . . . . 0.0 110.281 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 997' ' ' ARG . 2.7 t-20 45.57 19.71 0.05 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.547 -0.721 . . . . 0.0 109.62 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 996' ' ' ASN . 5.4 mmt-85 -22.13 91.77 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.073 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 47.2 Cg_endo -89.67 14.51 2.14 Favored 'Trans proline' 0 CA--C 1.565 2.051 0 C-N-CA 122.101 1.868 . . . . 0.0 116.096 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.6 Cg_endo -88.3 -156.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 CA-C-N 122.239 1.835 . . . . 0.0 111.794 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.8 tp -91.15 63.31 5.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.046 -1.034 . . . . 0.0 109.056 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -63.55 142.43 58.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.878 . . . . 0.0 110.037 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.55 154.67 19.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.312 -0.868 . . . . 0.0 109.233 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -126.0 67.32 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.619 -0.675 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' 1005 ' ' GLU . 7.6 p-10 -117.55 -121.87 0.3 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.898 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1006 ' ' GLU . 27.1 mt-10 -39.98 -65.68 0.38 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.752 -0.592 . . . . 0.0 110.456 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1005 ' ' GLU . 40.5 mt-10 41.03 -164.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.603 -0.685 . . . . 0.0 110.362 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 87.45 -88.22 1.57 Allowed Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.248 -1.148 . . . . 0.0 109.469 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.941 0 N-CA-C 119.763 2.665 . . . . 0.0 119.763 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.67 57.45 6.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.236 -1.155 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 13.8 ptp -71.09 -173.94 0.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 109.574 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -166.05 -38.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 15.0 m -150.68 108.44 3.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -1.141 . . . . 0.0 109.218 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -82.71 -37.43 24.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.194 -0.941 . . . . 0.0 109.549 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -46.44 -72.14 0.43 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.67 -152.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.755 2.303 . . . . 0.0 111.748 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' B' ' 694' ' ' LEU . 7.7 t70 -119.18 -20.12 8.11 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 19.4 tt 50.58 -19.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.624 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.67 -52.53 10.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.283 -1.511 . . . . 0.0 109.565 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 42.6 t -53.59 -53.61 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.218 -0.926 . . . . 0.0 110.405 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' B' ' 697' ' ' LEU . 17.2 m -60.5 -44.38 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.08 -1.013 . . . . 0.0 109.557 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 696' ' ' VAL . 58.4 tp -51.97 -51.57 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.9 -51.2 54.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.195 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.1 p -61.08 -49.45 77.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.266 -0.896 . . . . 0.0 109.192 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.95 -50.92 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.392 -0.818 . . . . 0.0 109.378 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.401 HD12 HG23 ' B' ' 714' ' ' ILE . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.526 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m -71.39 -23.37 61.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.8 -40.13 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.244 -0.91 . . . . 0.0 109.67 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -50.71 -32.23 18.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.916 -1.115 . . . . 0.0 108.771 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -87.53 -31.45 19.92 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.501 -0.749 . . . . 0.0 110.685 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -46.56 -34.46 4.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.914 -1.116 . . . . 0.0 109.561 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -58.74 5.01 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.188 -0.945 . . . . 0.0 109.24 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 730' ' ' PHE . 34.2 tt0 -63.9 -45.81 87.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.09 -41.21 47.82 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.29 -60.92 2.02 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -21.25 1.9 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.418 -0.801 . . . . 0.0 109.406 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' B' ' 726' ' ' GLU . 74.5 t80 -73.32 -60.19 2.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.924 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.92 -24.07 65.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.053 -1.03 . . . . 0.0 109.192 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.81 -48.46 46.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.275 -0.891 . . . . 0.0 109.375 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -57.07 -38.06 72.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.369 -0.832 . . . . 0.0 109.678 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -65.45 -41.25 93.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 109.818 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.49 67.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.103 -0.998 . . . . 0.0 110.013 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -58.27 -46.87 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.978 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.71 -37.53 5.96 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.188 -0.945 . . . . 0.0 109.807 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -71.46 -64.83 0.84 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.886 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.505 ' C ' ' H ' ' B' ' 741' ' ' THR . 15.5 t-105 -51.34 -20.66 1.81 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.9 10.28 0.94 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.617 0.722 . . . . 0.0 109.217 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.505 ' H ' ' C ' ' B' ' 739' ' ' TRP . 25.3 p -157.86 -173.78 4.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 48.78 15.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 109.179 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' B' ' 741' ' ' THR . 1.5 m120 -150.31 12.11 0.72 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -139.11 66.58 38.85 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.578 -0.701 . . . . 0.0 109.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -92.57 23.31 0.55 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 123.026 2.484 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.63 -40.76 25.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.417 -0.802 . . . . 0.0 109.457 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.406 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.1 OUTLIER -71.36 -55.28 8.31 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.389 -0.819 . . . . 0.0 108.875 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 747' ' ' TYR . 3.5 ttpm? -41.24 -37.1 0.88 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.479 0.657 . . . . 0.0 109.682 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.07 -67.21 0.73 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -178.78 -79.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.497 -0.752 . . . . 0.0 109.034 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' B' ' 752' ' ' SER . 0.1 OUTLIER 178.4 26.66 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.559 -0.713 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.7 OUTLIER 166.37 -168.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.295 -0.878 . . . . 0.0 109.123 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' B' ' 756' ' ' ASN . 47.9 m -156.29 -36.42 0.08 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.385 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.4 t80 -90.23 11.7 20.34 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.803 0.811 . . . . 0.0 109.378 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.462 ' C ' ' H ' ' B' ' 757' ' ' ILE . 70.4 m -87.78 -19.24 27.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.766 -0.584 . . . . 0.0 109.855 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 756' ' ' ASN . 0.8 OUTLIER -74.74 11.48 1.04 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.061 -1.025 . . . . 0.0 109.629 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.462 ' H ' ' C ' ' B' ' 755' ' ' THR . 11.9 mm -98.37 118.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.507 -0.745 . . . . 0.0 109.365 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 7.4 m -162.66 161.67 26.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.521 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -59.67 127.23 30.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.55 98.9 3.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.311 -0.868 . . . . 0.0 109.039 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 59.58 -139.76 48.37 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.278 -1.131 . . . . 0.0 109.309 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.784 2.673 . . . . 0.0 119.784 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 50.69 70.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -1.137 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.8 ttm -76.88 111.03 11.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.397 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 67.58 -174.21 28.48 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 960' ' ' GLU . 1.7 p -68.77 -148.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.136 -1.214 . . . . 0.0 109.467 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.533 ' N ' ' OG ' ' A' ' 959' ' ' SER . 44.8 mt-10 -81.74 -82.54 0.13 Allowed 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.024 0.916 . . . . 0.0 110.002 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 962' ' ' ARG . 62.7 mt-10 -100.71 39.32 1.39 Allowed 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.953 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 961' ' ' GLU . 6.6 tpt180 -60.63 -149.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.176 -0.952 . . . . 0.0 109.237 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -165.92 15.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.3 mt 44.69 66.97 4.48 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.173 -0.955 . . . . 0.0 109.83 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.67 87.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.272 2.648 . . . . 0.0 112.99 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.98 -22.72 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.925 . . . . 0.0 109.581 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -50.0 41.88 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.54 -54.56 35.5 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.343 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.22 -44.19 97.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -57.31 -51.95 67.3 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . 0.471 ' O ' ' CG2' ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 980' ' ' LEU . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER -66.76 -36.87 83.44 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -67.53 -38.86 84.85 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.871 0.843 . . . . 0.0 108.947 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 5.5 t -55.62 -2.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.72 -28.89 0.09 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.58 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 90.0 t80 -80.57 -16.66 53.6 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.496 -1.002 . . . . 0.0 109.742 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.02 -28.56 22.55 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 122.098 0.951 . . . . 0.0 108.85 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -55.64 -44.49 77.2 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -85.6 -127.16 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.423 0.63 . . . . 0.0 110.003 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.9 t30 46.24 49.72 12.56 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.034 0.921 . . . . 0.0 109.239 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.458 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 7.2 mmt180 -105.37 94.07 7.76 Favored Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.605 -0.685 . . . . 0.0 111.867 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.7 Cg_endo -85.86 10.55 3.64 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 C-N-CA 122.06 1.84 . . . . 0.0 116.309 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 42.6 Cg_endo -88.8 -159.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.3 0 CA-C-N 122.379 1.885 . . . . 0.0 111.117 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.27 47.01 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 108.346 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 999' ' ' PRO . 0.4 OUTLIER -44.95 138.91 3.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.522 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.77 159.78 25.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.457 -0.777 . . . . 0.0 109.86 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' 1003 ' ' ASP . 15.7 t70 -113.82 49.03 1.02 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' 1005 ' ' GLU . 34.1 t0 -104.39 -156.76 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.383 -0.823 . . . . 0.0 109.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.516 ' H ' ' CG ' ' A' 1004 ' ' ASP . 36.1 mt-10 -49.07 -36.52 18.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.963 . . . . 0.0 109.394 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.41 69.09 1.15 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 109.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 178.01 -83.51 0.07 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.288 -1.125 . . . . 0.0 109.236 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.979 0 N-CA-C 119.764 2.666 . . . . 0.0 119.764 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -171.63 92.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -1.146 . . . . 0.0 109.577 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.1 tpt -75.22 -124.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -164.29 -149.2 5.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 84.5 p -153.67 -155.5 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.172 -1.193 . . . . 0.0 109.452 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -138.53 -2.22 1.8 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.442 -0.786 . . . . 0.0 109.625 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.69 -78.58 0.31 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.88 -153.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.582 2.188 . . . . 0.0 111.829 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.685 ' O ' ' N ' ' B' ' 694' ' ' LEU . 10.1 t70 -105.43 -30.25 9.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.722 -0.611 . . . . 0.0 109.489 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 19.6 tt 50.3 -37.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.685 ' N ' ' O ' ' B' ' 692' ' ' ASP . 56.6 tp -59.1 -51.75 68.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.392 -1.442 . . . . 0.0 110.424 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.62 -54.03 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.016 -1.052 . . . . 0.0 110.788 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 5.1 m -67.11 -41.4 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 110.038 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.451 ' O ' ' SD ' ' B' ' 701' ' ' MET . 32.9 tp -57.23 -43.23 82.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.894 -1.129 . . . . 0.0 108.91 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.39 -45.31 84.65 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.185 -0.947 . . . . 0.0 108.89 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.4 p -62.83 -48.15 80.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.296 -0.877 . . . . 0.0 109.084 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.26 -51.59 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.658 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 714' ' ' ILE . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.601 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.401 ' CD1' ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m -70.25 -43.21 71.0 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.404 HD11 HG22 ' B' ' 721' ' ' ILE . 45.2 mt -51.92 -42.65 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.38 -30.98 31.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.657 -1.277 . . . . 0.0 108.398 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -87.68 -27.83 22.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.58 -0.7 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -45.96 -32.26 2.64 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.932 -1.105 . . . . 0.0 109.937 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -58.8 4.73 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.94 -1.1 . . . . 0.0 109.047 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -63.85 -47.81 79.25 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.02 -38.19 49.82 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.09 -59.59 2.67 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -28.79 4.43 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 109.172 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.0 t80 -68.62 -60.9 2.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -66.97 -24.1 66.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.69 -0.631 . . . . 0.0 109.564 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.226 -0.921 . . . . 0.0 109.435 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.58 -40.02 64.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -59.59 -28.46 67.17 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.48 -49.73 14.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -67.03 -48.12 69.34 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.222 -0.923 . . . . 0.0 110.005 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.74 -35.8 4.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.317 -0.864 . . . . 0.0 110.055 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.4 mmmt -65.11 -65.74 0.63 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 110.187 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -51.61 -20.44 1.99 Allowed 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.444 ' O ' ' OG1' ' B' ' 741' ' ' THR . 19.5 t70 -87.32 21.48 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.386 0.612 . . . . 0.0 109.661 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 2.0 m -168.26 -137.39 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.476 -0.765 . . . . 0.0 109.521 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 57.29 -136.04 1.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.6 41.72 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.377 -0.827 . . . . 0.0 109.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' B' ' 742' ' ' ALA . 11.5 t30 -126.19 79.44 69.82 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.155 -0.965 . . . . 0.0 109.842 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -93.26 25.4 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 123.262 2.641 . . . . 0.0 111.888 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.78 -26.65 62.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.593 -0.692 . . . . 0.0 109.522 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -60.33 2.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.915 . . . . 0.0 108.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -43.66 -34.03 1.36 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.287 0.565 . . . . 0.0 109.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.68 -58.26 9.36 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.281 -0.887 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 58.44 61.67 2.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.413 -0.804 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.3 p -145.48 58.43 1.26 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 26.9 m -61.98 177.34 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.219 -0.926 . . . . 0.0 109.399 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 65.1 m -83.03 -26.9 30.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.449 ' CD2' ' N ' ' B' ' 755' ' ' THR . 29.8 t80 -71.67 -175.72 1.43 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 0.0 109.215 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.449 ' N ' ' CD2' ' B' ' 754' ' ' PHE . 9.9 t 38.4 41.9 0.49 Allowed 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 121.513 0.673 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' B' ' 756' ' ' ASN . 0.9 OUTLIER -102.81 38.54 1.71 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 12.4 mt -117.43 136.44 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.693 -0.629 . . . . 0.0 109.427 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.8 m -158.53 162.75 37.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.214 -0.929 . . . . 0.0 109.535 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -63.93 124.31 21.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.3 -0.875 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -146.17 -168.89 3.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.231 -0.918 . . . . 0.0 109.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -174.75 -109.95 0.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.196 -1.179 . . . . 0.0 109.568 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.969 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.25 151.31 15.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -1.129 . . . . 0.0 109.517 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 957' ' ' MET . 1.8 tmt? -161.55 -41.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -166.5 159.75 33.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 961' ' ' GLU . 90.0 p -163.68 109.24 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -1.176 . . . . 0.0 109.673 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 12.9 mp0 -71.66 8.18 1.23 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.358 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 959' ' ' SER . 72.5 mt-10 -76.76 -43.34 37.41 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.754 -0.591 . . . . 0.0 109.574 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 961' ' ' GLU . 11.5 tpt180 59.16 119.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.97 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -166.71 -59.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -0.997 . . . . 0.0 109.683 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 966' ' ' ILE . 5.0 mt 50.74 70.76 1.82 Allowed Pre-proline 0 N--CA 1.486 1.352 0 O-C-N 121.166 -0.959 . . . . 0.0 109.021 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.33 53.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 123.528 2.819 . . . . 0.0 113.86 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.4 mm -52.9 -26.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 120.569 -1.332 . . . . 0.0 108.946 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -48.9 67.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -53.81 -50.55 65.91 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.64 -1.163 . . . . 0.0 108.255 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.43 -44.63 97.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp -62.0 -48.95 78.04 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.527 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -66.67 -37.48 84.86 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.2 tptt -68.42 -39.01 81.73 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.79 0.805 . . . . 0.0 108.863 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 5.0 t -56.76 -2.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.975 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -144.03 -29.2 0.11 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.5 t80 -80.77 -16.56 53.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.553 -0.969 . . . . 0.0 109.75 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.92 -13.09 22.65 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 122.377 1.084 . . . . 0.0 108.693 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -84.88 -46.13 11.59 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.249 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.703 ' C ' ' H ' ' A' ' 997' ' ' ARG . 77.2 mtp180 -75.93 -29.43 58.36 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.781 0.8 . . . . 0.0 111.309 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 0.4 OUTLIER -68.28 25.44 0.02 OUTLIER 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.703 ' H ' ' C ' ' A' ' 995' ' ' ARG . 5.3 mmt180 -19.68 88.13 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 33.0 Cg_exo -63.82 -14.92 45.92 Favored 'Trans proline' 0 CA--C 1.569 2.25 0 C-N-CA 122.497 2.131 . . . . 0.0 116.086 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 15.7 Cg_endo -97.26 -153.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 122.298 1.857 . . . . 0.0 112.158 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 20.8 tp -72.52 111.04 7.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 108.748 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -80.16 -50.71 9.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 109.681 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -47.85 130.26 14.77 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.68 76.53 0.1 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.879 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' 1006 ' ' GLU . 0.5 OUTLIER -103.05 127.92 50.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.405 -0.809 . . . . 0.0 109.498 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' 1006 ' ' GLU . 0.9 OUTLIER 59.12 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.538 -0.726 . . . . 0.0 110.416 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' 1004 ' ' ASP . 56.9 mt-10 -37.11 111.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.403 0.62 . . . . 0.0 110.636 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 172.82 -28.0 0.09 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.444 -1.033 . . . . 0.0 109.254 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.951 0 N-CA-C 119.689 2.636 . . . . 0.0 119.689 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.96 103.98 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -1.161 . . . . 0.0 109.493 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.3 tpt -66.67 -78.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -84.29 155.5 31.24 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 27.1 t -68.42 -169.65 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.164 . . . . 0.0 109.445 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' B' ' 689' ' ' LYS . 3.5 mptp? -82.2 -74.81 0.33 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 0.0 109.411 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -94.99 -56.41 1.31 Allowed Glycine 0 N--CA 1.496 2.687 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.3 Cg_exo -53.69 -133.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.885 2.39 . . . . 0.0 112.515 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' B' ' 694' ' ' LEU . 46.6 t0 -159.59 -30.32 0.06 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.433 -0.792 . . . . 0.0 109.5 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 61.97 -8.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.565 -0.71 . . . . 0.0 109.729 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.95 -50.73 15.75 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.852 -1.155 . . . . 0.0 109.722 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 51.7 t -53.52 -53.32 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.058 -1.026 . . . . 0.0 109.953 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.01 -40.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.076 -1.015 . . . . 0.0 109.389 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 11.8 tp -51.47 -53.14 40.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.029 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -53.37 35.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.353 -0.842 . . . . 0.0 109.234 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 87.0 p -65.26 -52.05 56.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.251 -0.906 . . . . 0.0 109.608 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t -54.7 -45.42 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 109.852 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.527 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -60.49 -26.38 66.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 67.8 mt -73.92 -37.84 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 121.298 -0.876 . . . . 0.0 109.321 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.27 -27.74 37.09 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.37 -30.18 20.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.63 -0.669 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -47.11 -32.67 4.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.834 -1.166 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -58.44 5.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.098 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.38 -47.63 83.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.012 . . . . 0.0 108.563 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.95 -36.96 65.86 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.83 -58.1 3.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -26.6 3.69 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.324 -0.86 . . . . 0.0 109.098 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.58 -60.9 2.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.284 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.24 -23.7 65.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.644 -0.66 . . . . 0.0 109.226 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.78 -51.05 66.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.15 -42.67 98.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 109.311 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -57.35 -32.59 66.9 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.278 -0.889 . . . . 0.0 109.335 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -75.78 -39.22 57.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 0.0 109.584 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -54.75 -61.94 1.98 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.117 -0.989 . . . . 0.0 109.428 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.97 -42.7 49.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.243 -0.91 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.5 mmmt -63.02 -63.72 1.12 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.34 -0.85 . . . . 0.0 109.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -52.31 -21.32 3.39 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 50.5 t0 -88.57 6.12 39.58 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.585 0.707 . . . . 0.0 109.344 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 738' ' ' LYS . 46.6 p -156.19 -139.5 0.08 Allowed 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.99 -134.35 1.55 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.095 -1.003 . . . . 0.0 108.604 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.65 31.76 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.339 -0.851 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' B' ' 742' ' ' ALA . 24.1 t30 -139.72 65.7 32.53 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -93.25 23.1 0.53 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 123.028 2.485 . . . . 0.0 112.2 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.3 pp -46.88 -40.37 13.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.469 -0.77 . . . . 0.0 109.93 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.98 -67.23 0.46 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.033 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -45.02 -40.66 6.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.808 -0.558 . . . . 0.0 110.034 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.439 ' O ' ' CB ' ' B' ' 750' ' ' ALA . 2.2 tt0 -54.21 -36.03 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.563 ' C ' ' H ' ' B' ' 752' ' ' SER . . . 73.97 77.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 9.4 t -71.05 22.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.306 -0.871 . . . . 0.0 109.874 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.563 ' H ' ' C ' ' B' ' 750' ' ' ALA . 57.1 m -97.14 41.5 1.11 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.383 -0.823 . . . . 0.0 109.019 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 755' ' ' THR . 91.7 m -96.17 -25.96 15.64 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.844 . . . . 0.0 109.633 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -67.59 4.22 1.13 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.385 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.516 ' H ' ' C ' ' B' ' 753' ' ' THR . 13.5 t -133.55 34.57 3.45 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' B' ' 756' ' ' ASN . 0.3 OUTLIER -128.9 31.29 4.95 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.75 . . . . 0.0 109.002 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 53.2 mt -70.82 94.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.472 -0.767 . . . . 0.0 109.545 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 43.2 p -51.39 144.88 9.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 88.1 t80 -82.49 72.63 9.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -49.67 112.93 0.73 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.187 -0.945 . . . . 0.0 109.428 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -71.61 90.13 0.46 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.238 -1.154 . . . . 0.0 109.501 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -59.47 177.88 0.17 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -1.158 . . . . 0.0 109.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -165.73 167.03 17.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -0.922 . . . . 0.0 109.446 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.431 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -67.11 154.59 52.84 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 9.9 m -166.32 168.94 14.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.339 -1.094 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -76.37 7.84 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 959' ' ' SER . 28.0 mt-10 -84.38 -46.41 11.75 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.744 -0.597 . . . . 0.0 109.442 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -66.98 -139.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.525 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -169.33 -31.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 109.711 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.0 mt 50.15 70.05 2.27 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.646 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.81 110.4 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.205 2.603 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 970' ' ' LEU . 1.9 mt -63.62 -24.55 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.605 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -47.97 63.13 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.75 -54.08 46.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.47 -43.02 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -56.48 -51.45 68.43 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.526 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.534 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -62.32 -38.4 89.32 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 mptt -74.68 -33.77 62.53 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.46 0.648 . . . . 0.0 110.041 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.3 t -56.07 -3.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 O-C-N 121.451 -0.781 . . . . 0.0 109.439 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.84 -29.91 0.08 OUTLIER Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -15.46 58.34 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.559 -0.966 . . . . 0.0 109.848 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -9.96 24.16 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 122.231 1.015 . . . . 0.0 108.898 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -82.21 -42.47 18.92 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 121.678 0.751 . . . . 0.0 109.091 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.649 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.0 mtt180 -92.08 -17.61 24.75 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.734 0.778 . . . . 0.0 111.548 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 997' ' ' ARG . 37.3 t30 -68.97 33.65 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.649 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.2 mmt85 -18.76 87.94 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 24.8 Cg_exo -64.26 -12.14 31.36 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 122.932 2.421 . . . . 0.0 116.608 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' 1001 ' ' GLU . 58.6 Cg_endo -90.83 -176.84 1.04 Allowed 'Trans proline' 0 N--CA 1.485 0.977 0 CA-C-N 122.657 1.985 . . . . 0.0 111.954 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.32 59.23 0.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.162 -0.961 . . . . 0.0 109.674 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 999' ' ' PRO . 17.8 tp10 -141.72 55.24 1.5 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.17 -0.956 . . . . 0.0 109.415 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.72 47.43 0.5 Allowed 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.18 -0.95 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.9 134.74 28.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 109.37 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.36 179.25 0.33 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.0 109.167 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.63 176.92 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.059 -1.026 . . . . 0.0 109.503 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -117.1 -107.7 0.37 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 109.614 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 166.74 -117.81 0.76 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.923 0 N-CA-C 119.832 2.693 . . . . 0.0 119.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.02 -94.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -1.162 . . . . 0.0 109.366 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 36.1 mtt -77.25 -144.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.266 -0.896 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 165.99 -146.6 11.19 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.431 ' C ' ' H ' ' B' ' 690' ' ' GLY . 18.5 p -50.91 110.14 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -1.143 . . . . 0.0 109.432 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -63.38 -1.43 1.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.532 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -169.19 -56.1 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.2 Cg_exo -52.19 -129.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 123.083 2.522 . . . . 0.0 112.509 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' B' ' 694' ' ' LEU . 62.7 t0 -157.0 -26.48 0.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.994 . . . . 0.0 109.935 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 61.14 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.651 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.24 -48.66 27.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.791 -1.193 . . . . 0.0 109.417 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.84 -53.82 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.088 -1.008 . . . . 0.0 109.993 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' B' ' 697' ' ' LEU . 19.0 m -63.83 -45.7 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 120.98 -1.075 . . . . 0.0 109.443 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.429 ' N ' ' CG2' ' B' ' 696' ' ' VAL . 12.1 tp -58.06 -38.73 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.162 -0.961 . . . . 0.0 108.866 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' B' ' 698' ' ' LEU . 3.1 tm? -54.03 -48.56 70.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 22.7 t -60.78 -47.07 88.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.441 -0.787 . . . . 0.0 109.316 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t -54.07 -50.1 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.395 -0.816 . . . . 0.0 109.728 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.534 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m -76.27 -25.24 54.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.22 -33.63 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 110.078 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -53.1 -33.69 53.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.683 -1.261 . . . . 0.0 108.312 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 723' ' ' ASP . 0.8 OUTLIER -87.66 -31.84 19.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 0.0 110.709 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.06 -32.38 4.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.85 -1.156 . . . . 0.0 109.717 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.96 2.78 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.048 -1.033 . . . . 0.0 109.364 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -64.65 -47.26 79.12 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -50.19 -39.11 43.06 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.18 -60.38 2.32 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -33.43 10.73 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.387 -0.821 . . . . 0.0 109.291 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' B' ' 726' ' ' GLU . 34.3 t80 -71.31 -60.38 2.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.949 . . . . 0.0 109.177 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.711 -0.618 . . . . 0.0 109.385 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.58 -45.27 93.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 0.0 109.212 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.31 -45.09 73.93 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.344 -0.847 . . . . 0.0 109.276 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.63 -33.57 74.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.243 -0.911 . . . . 0.0 109.443 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.04 71.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -78.71 -16.74 56.88 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.13 -0.981 . . . . 0.0 109.661 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -59.42 -18.66 41.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.972 . . . . 0.0 109.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' B' ' 740' ' ' ASP . 11.6 mmtt -63.25 -66.6 0.52 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.893 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -51.64 -20.55 2.09 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 740' ' ' ASP . 9.6 t0 -96.33 23.74 6.41 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.444 0.64 . . . . 0.0 109.571 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.443 ' O ' ' O ' ' B' ' 742' ' ' ALA . 5.8 p -148.93 -163.0 1.68 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.442 -0.786 . . . . 0.0 109.121 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 52.65 101.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 0.0 109.164 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 53.63 31.22 12.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -42.83 106.53 0.48 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.602 -0.686 . . . . 0.0 110.07 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -85.38 17.6 1.73 Allowed 'Trans proline' 0 N--CA 1.487 1.135 0 C-N-CA 122.108 1.872 . . . . 0.0 112.109 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.43 -39.94 92.72 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.56 -64.67 0.81 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 108.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -42.04 -32.46 0.45 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-O 121.287 0.565 . . . . 0.0 110.071 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' B' ' 751' ' ' THR . 1.6 tt0 -72.41 -50.53 25.71 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.928 . . . . 0.0 108.933 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 48.46 18.71 0.18 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.68 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.406 ' N ' ' C ' ' B' ' 749' ' ' GLU . 5.0 p 49.62 41.03 20.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 33.3 p -157.8 50.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.3 m -84.14 -78.58 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 64.4 t80 -93.73 6.46 48.26 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.768 0.794 . . . . 0.0 109.28 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.3 m -90.23 12.77 17.06 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 758' ' ' THR . 9.4 t-20 -123.6 39.1 4.04 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.507 -0.746 . . . . 0.0 109.41 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.517 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 1.6 mp -49.45 90.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.518 ' N ' ' O ' ' B' ' 756' ' ' ASN . 0.7 OUTLIER -86.43 -154.4 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.213 -0.929 . . . . 0.0 109.072 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.507 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 68.2 t80 -104.25 47.41 0.88 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.348 -0.845 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -75.43 101.98 5.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.1 143.68 4.62 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.255 -1.144 . . . . 0.0 109.467 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.691 2.637 . . . . 0.0 119.691 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . 0.542 ' C ' ' H ' ' A' ' 958' ' ' GLY . . . 50.64 41.8 26.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -1.143 . . . . 0.0 109.503 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 27.4 ttp 54.88 4.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.329 -0.857 . . . . 0.0 109.735 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.542 ' H ' ' C ' ' A' ' 956' ' ' ALA . . . 79.6 -78.45 1.76 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 23.6 m -68.95 135.56 51.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.523 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 7.9 mp0 -79.62 8.73 5.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.892 . . . . 0.0 109.24 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 962' ' ' ARG . 38.5 mt-10 -55.86 -57.03 13.76 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 961' ' ' GLU . 33.4 ttt85 58.83 141.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.557 0.694 . . . . 0.0 110.349 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -157.91 16.43 0.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.493 ' C ' ' H ' ' A' ' 966' ' ' ILE . 14.2 mt 43.53 62.84 8.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.497 -0.752 . . . . 0.0 110.734 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.478 ' C ' ' N ' ' A' ' 967' ' ' TRP . 51.3 Cg_exo -56.81 5.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.493 ' H ' ' C ' ' A' ' 964' ' ' ILE . 5.1 mm -45.81 -21.85 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.079 -1.013 . . . . 0.0 108.524 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . 0.478 ' N ' ' C ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -62.13 -52.03 65.51 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -57.71 -42.35 83.57 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.391 178.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.6 t -66.45 -44.76 90.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 966' ' ' ILE . 1.4 tt -55.07 -50.73 68.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.531 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.6 mptt -72.97 -35.64 66.95 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.672 0.749 . . . . 0.0 109.253 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.6 t -56.05 -2.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.3 -0.875 . . . . 0.0 109.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.01 -29.84 0.09 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -80.36 -19.38 46.55 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.44 -1.035 . . . . 0.0 109.729 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.67 -16.27 30.79 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -76.64 -43.95 36.01 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.97 101.38 12.95 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.852 0.834 . . . . 0.0 109.071 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 997' ' ' ARG . 33.5 t-20 -144.85 23.56 1.55 Allowed 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 996' ' ' ASN . 3.0 mmt85 -19.17 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.481 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 78.2 Cg_endo -75.68 -3.48 13.94 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 116.379 1.646 . . . . 0.0 116.379 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 0.9 OUTLIER -95.39 -130.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 CA-C-N 122.405 1.895 . . . . 0.0 110.558 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.5 37.76 4.31 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.37 28.75 6.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.525 -0.734 . . . . 0.0 109.613 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -95.1 114.63 26.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.195 -0.941 . . . . 0.0 109.312 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.48 144.64 54.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 109.218 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' 1005 ' ' GLU . 20.1 t70 -77.7 -154.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.055 -1.028 . . . . 0.0 109.446 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' 1006 ' ' GLU . 71.7 mt-10 -72.12 -30.17 64.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 1005 ' ' GLU . 95.1 mt-10 13.3 -111.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 158.6 -133.75 3.55 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.338 -1.095 . . . . 0.0 109.487 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.964 0 N-CA-C 119.796 2.679 . . . . 0.0 119.796 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . 0.44 ' C ' ' SD ' ' B' ' 686' ' ' MET . . . -62.14 -163.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -1.15 . . . . 0.0 109.503 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 686' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' B' ' 685' ' ' ALA . 2.5 mpt? -141.36 71.8 1.37 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.889 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.86 -171.71 51.88 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 80.9 p -156.49 -167.62 2.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.319 -1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -143.09 7.78 1.61 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.296 -0.878 . . . . 0.0 109.44 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -90.74 -74.31 1.28 Allowed Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 -100.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.794 2.329 . . . . 0.0 111.889 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.546 ' C ' ' H ' ' B' ' 694' ' ' LEU . 5.9 t70 -156.48 -43.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.619 -0.676 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 63.94 -39.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.842 -0.536 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -57.65 -52.75 64.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 110.325 -179.184 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.65 -54.52 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.951 -1.093 . . . . 0.0 110.377 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 10.4 m -66.05 -40.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 120.863 -1.148 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.43 -50.46 62.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.151 -0.968 . . . . 0.0 108.618 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.55 -53.0 42.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.451 -0.781 . . . . 0.0 108.955 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 26.5 t -59.22 -50.08 75.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -0.927 . . . . 0.0 109.138 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.32 -49.24 77.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.521 -0.737 . . . . 0.0 109.653 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 708' ' ' GLY . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.531 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m -67.02 -48.29 68.83 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.6 mt -55.86 -46.13 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -0.822 . . . . 0.0 109.939 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -30.93 49.77 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.837 -1.164 . . . . 0.0 108.144 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' B' ' 727' ' ' PHE . 7.7 m-20 -87.44 -32.24 19.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.603 -0.686 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -44.8 -32.35 1.52 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.102 -0.999 . . . . 0.0 109.709 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -59.78 2.56 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.091 -1.005 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.7 tt0 -63.69 -48.59 76.5 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' B' ' 723' ' ' ASP . 40.9 t80 -49.56 -39.11 33.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.56 1.84 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -25.16 2.17 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.293 -0.879 . . . . 0.0 109.52 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' B' ' 726' ' ' GLU . 32.7 t80 -72.27 -60.11 2.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.096 -1.002 . . . . 0.0 109.649 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.22 -23.73 67.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.02 . . . . 0.0 109.167 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.32 -49.64 70.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.273 -0.892 . . . . 0.0 109.225 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.409 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -63.96 -40.75 97.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.313 -0.867 . . . . 0.0 109.429 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.47 80.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' B' ' 740' ' ' ASP . 53.3 mtp180 -62.06 -46.19 90.22 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 109.513 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.63 -45.01 18.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.214 -0.929 . . . . 0.0 109.53 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.37 -66.38 0.56 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 110.073 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -51.42 -20.71 1.91 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' O ' ' OG1' ' B' ' 741' ' ' THR . 33.2 t0 -89.02 24.13 2.19 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 90.0 m -166.77 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.985 0.898 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -65.74 104.56 1.08 Allowed 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 13.5 t30 44.57 31.76 0.66 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.41 -0.806 . . . . 0.0 109.961 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -53.28 111.7 2.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.756 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.89 14.07 2.52 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.201 1.934 . . . . 0.0 113.359 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' B' ' 747' ' ' TYR . 3.5 pp -83.54 -33.25 25.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 109.347 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' B' ' 746' ' ' LEU . 0.4 OUTLIER -65.19 -50.88 64.2 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' B' ' 747' ' ' TYR . 53.9 tttm -41.69 -42.64 2.6 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.5 0.667 . . . . 0.0 109.474 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 751' ' ' THR . 3.6 mt-10 -89.79 -55.47 3.62 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' B' ' 749' ' ' GLU . . . 76.25 -33.69 0.22 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.511 ' H ' ' C ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER 175.07 30.01 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 751' ' ' THR . 4.3 p 62.59 130.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.067 -1.021 . . . . 0.0 109.23 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.519 ' C ' ' H ' ' B' ' 755' ' ' THR . 40.6 m -147.87 -32.41 0.27 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.052 -1.03 . . . . 0.0 109.906 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -68.79 5.45 1.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.0 109.4 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 753' ' ' THR . 5.2 t -97.93 22.31 9.45 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.3 54.79 1.88 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.477 -0.764 . . . . 0.0 109.292 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 16.4 mm -46.21 144.23 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 109.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.1 170.88 15.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 109.686 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 87.3 t80 -88.98 66.31 7.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.828 . . . . 0.0 109.483 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -152.1 168.13 26.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.262 -0.899 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 80.18 17.54 73.95 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.257 -1.143 . . . . 0.0 109.444 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 956' ' ' ALA . . . . . . . . 1 N--CA 1.531 4.99 0 N-CA-C 119.778 2.671 . . . . 0.0 119.778 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 955' ' ' GLY . . . 50.23 94.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.268 -1.136 . . . . 0.0 109.572 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 957' ' ' MET . 2.0 tmt? -166.72 -17.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.898 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -153.81 -68.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 31.4 m 49.54 -172.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -1.169 . . . . 0.0 109.356 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -145.45 6.85 1.12 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.835 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 963' ' ' ALA . 2.9 mp0 -89.99 30.72 1.04 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.573 -0.704 . . . . 0.0 109.501 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.25 78.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.317 -0.864 . . . . 0.0 109.73 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.71 -18.61 32.63 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 109.201 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.4 mt 46.59 66.93 4.91 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.309 -0.87 . . . . 0.0 109.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.38 110.01 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.914 2.41 . . . . 0.0 112.044 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.8 mt -58.13 -25.79 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.846 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -50.1 64.57 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.88 1.324 . . . . 0.0 107.509 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . 0.485 ' HE1' ' CD2' ' B' ' 697' ' ' LEU . 0.2 OUTLIER -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.283 -2.319 0 CA-C-N 114.31 -1.314 . . . . 0.0 107.98 179.181 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.74 -44.52 93.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -53.71 -49.28 68.41 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 970' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 981' ' ' THR . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.557 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -64.09 -37.83 88.85 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -66.12 -42.99 88.42 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.868 0.842 . . . . 0.0 108.769 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 9.8 t -56.7 -2.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.165 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.559 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.28 -28.75 0.2 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 988' ' ' TRP . 74.1 t80 -81.85 -18.82 42.54 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.531 -0.982 . . . . 0.0 109.56 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -14.58 30.17 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -83.35 -49.29 9.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.274 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 997' ' ' ARG . 44.7 mtp85 -72.45 -120.95 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.492 0.663 . . . . 0.0 110.118 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 997' ' ' ARG . 7.2 t-20 45.15 18.23 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.674 0.75 . . . . 0.0 109.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 995' ' ' ARG . 6.9 mmt180 -23.8 87.33 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.627 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 2.1 Cg_endo -83.56 7.98 4.88 Favored 'Trans proline' 0 CA--C 1.569 2.234 0 C-N-CA 122.123 1.882 . . . . 0.0 115.623 176.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.1 Cg_endo -92.04 -154.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 CA-C-N 122.727 2.01 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.402 ' C ' ' H ' ' A' 1002 ' ' GLU . 10.6 tp -94.62 55.88 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.69 0.79 3.8 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.089 -1.007 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' 1003 ' ' ASP . 78.8 mt-10 -56.5 111.41 0.98 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.206 -0.934 . . . . 0.0 109.215 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' 1004 ' ' ASP . 42.8 t0 48.86 -172.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.202 -0.937 . . . . 0.0 109.444 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.454 ' H ' ' CG ' ' A' 1003 ' ' ASP . 0.7 OUTLIER 38.86 80.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.701 -0.625 . . . . 0.0 110.823 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.99 -91.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -80.16 -167.93 1.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.345 -0.847 . . . . 0.0 109.719 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -168.1 97.96 0.14 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.309 -1.112 . . . . 0.0 109.413 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 55.82 46.52 22.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -1.091 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 17.3 mtt 54.88 72.73 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.928 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -86.96 154.56 26.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.9 m -81.58 -163.75 0.68 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -1.132 . . . . 0.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -139.87 55.74 1.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.352 -0.842 . . . . 0.0 109.604 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -157.6 -81.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.26 -101.94 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.506 2.137 . . . . 0.0 111.907 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' B' ' 694' ' ' LEU . 24.1 t0 -165.76 -30.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.589 -0.694 . . . . 0.0 109.608 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 64.63 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.733 -0.604 . . . . 0.0 109.981 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.78 -51.92 58.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.113 -0.992 . . . . 0.0 110.961 -178.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.88 -54.19 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.81 -1.181 . . . . 0.0 110.402 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 15.7 m -66.05 -39.72 85.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.911 -1.118 . . . . 0.0 109.857 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.53 ' CD1' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.2 -51.25 59.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.722 -1.237 . . . . 0.0 108.359 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.88 -50.77 60.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 108.771 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 28.3 t -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.247 -0.908 . . . . 0.0 109.629 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 84.9 t -53.71 -52.64 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.527 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m -76.42 -23.87 53.99 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 mt -68.51 -28.59 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.292 -0.88 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.61 -34.2 70.86 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 108.389 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.71 -31.06 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.51 -0.744 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.09 -32.46 4.16 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.866 -1.147 . . . . 0.0 109.677 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.531 ' C ' ' HZ3' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -68.68 -59.23 3.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.027 -1.045 . . . . 0.0 109.137 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 730' ' ' PHE . 24.9 tt0 -62.69 -48.4 79.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.196 -0.94 . . . . 0.0 108.534 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -51.84 -37.48 52.09 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.97 -54.08 6.7 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . 0.531 ' HZ3' ' C ' ' B' ' 725' ' ' LYS . 1.1 mtmp? -52.83 -31.56 39.68 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.128 -0.982 . . . . 0.0 108.537 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.2 t80 -68.21 -56.76 7.57 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' B' ' 731' ' ' GLU . 0.5 OUTLIER -55.98 -38.79 70.9 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -52.81 -48.0 67.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.505 -0.747 . . . . 0.0 109.459 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.36 -52.92 63.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.394 -0.816 . . . . 0.0 109.614 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -51.9 -30.03 22.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.18 -0.95 . . . . 0.0 109.439 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.87 -50.52 12.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 109.583 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -54.91 -17.07 3.19 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.11 -43.76 41.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -0.929 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' B' ' 741' ' ' THR . 1.5 mppt? -56.98 -60.15 4.0 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.017 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -51.75 -21.47 2.79 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' B' ' 738' ' ' LYS . 19.2 t70 -97.6 17.82 16.91 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.368 0.604 . . . . 0.0 109.512 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.47 ' N ' ' O ' ' B' ' 738' ' ' LYS . 33.2 p -157.46 -124.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 743' ' ' ASN . . . 61.47 47.28 6.78 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.434 -0.791 . . . . 0.0 108.899 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 742' ' ' ALA . 2.8 m-80 38.74 52.46 1.87 Allowed 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.252 0.549 . . . . 0.0 110.395 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.455 ' OD1' ' CD2' ' B' ' 746' ' ' LEU . 17.3 t-20 -46.74 108.56 0.87 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 108.854 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.15 3.69 7.6 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.0 1.8 . . . . 0.0 113.794 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.455 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.2 pp -93.15 -37.92 11.86 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.1 OUTLIER -78.71 -48.93 13.97 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 62.1 tttm -42.77 -36.74 1.55 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.415 0.626 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' B' ' 750' ' ' ALA . 2.1 tt0 -68.77 -69.74 0.31 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' B' ' 749' ' ' GLU . . . 164.94 30.44 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' B' ' 752' ' ' SER . 43.8 p 48.76 52.97 13.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.971 -1.081 . . . . 0.0 109.154 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 137.71 0.06 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.633 -0.667 . . . . 0.0 109.278 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.408 ' C ' ' H ' ' B' ' 755' ' ' THR . 29.5 m -144.61 -31.02 0.44 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.196 -0.94 . . . . 0.0 109.784 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 45.3 t80 -76.25 7.28 4.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.914 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 753' ' ' THR . 9.5 t -89.22 1.2 56.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.426 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.07 43.31 2.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.585 -0.697 . . . . 0.0 109.396 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.521 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 1.6 mp -46.13 160.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 109.697 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.515 ' HG1' ' N ' ' B' ' 759' ' ' TYR . 0.6 OUTLIER -160.72 179.42 8.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.517 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.515 ' N ' ' HG1' ' B' ' 758' ' ' THR . 65.6 t80 -83.19 129.78 35.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.414 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -144.5 51.55 1.27 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.233 -0.917 . . . . 0.0 109.18 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 57.01 22.55 42.74 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.241 -1.152 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.931 0 N-CA-C 119.787 2.675 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 958' ' ' GLY . . . -162.07 -167.09 1.56 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -1.136 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.0 OUTLIER 49.99 -97.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.272 -0.893 . . . . 0.0 109.511 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 956' ' ' ALA . . . 161.54 -124.84 1.35 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 8.7 t 54.99 173.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -1.118 . . . . 0.0 109.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 962' ' ' ARG . 76.0 mm-40 -140.28 9.23 2.28 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.266 -0.897 . . . . 0.0 109.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.44 3.81 0.44 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.787 -0.57 . . . . 0.0 109.643 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 960' ' ' GLU . 73.5 mtm180 -66.4 -173.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.509 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -168.6 -50.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.5 mt 48.68 68.85 3.12 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.188 -0.945 . . . . 0.0 109.7 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 967' ' ' TRP . 51.9 Cg_exo -52.91 102.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.262 2.642 . . . . 0.0 112.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.637 ' H ' ' CD1' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.49 -24.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.381 -0.824 . . . . 0.0 110.169 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -51.88 -49.31 63.22 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -54.86 -56.13 22.79 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.275 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 98.9 t -59.5 -38.92 77.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 966' ' ' ILE . 4.3 tt -68.11 -50.09 57.08 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 986' ' ' ALA . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 982' ' ' ILE . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER -60.23 -36.94 78.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -76.02 -39.74 55.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.659 -0.651 . . . . 0.0 109.747 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -6.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.973 -1.08 . . . . 0.0 108.511 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.12 -29.63 0.39 Allowed Glycine 0 N--CA 1.499 2.849 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 988' ' ' TRP . 67.5 t80 -85.52 -17.57 35.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.169 -1.195 . . . . 0.0 110.069 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.18 -16.37 27.8 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 122.192 0.996 . . . . 0.0 108.503 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -71.12 -42.02 69.77 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 997' ' ' ARG . 47.3 mtp85 -97.87 -132.99 0.23 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.676 0.751 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 997' ' ' ARG . 14.9 t-20 43.9 14.44 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.715 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 995' ' ' ARG . 0.7 OUTLIER -29.58 95.85 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 64.5 Cg_endo -84.61 7.49 5.15 Favored 'Trans proline' 0 CA--C 1.565 2.07 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 43.2 Cg_endo -89.22 -154.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 0 CA-C-N 122.444 1.909 . . . . 0.0 111.124 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.7 88.66 7.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.914 -1.116 . . . . 0.0 109.091 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -147.2 150.66 35.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.422 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' 1004 ' ' ASP . 5.9 mm-40 -53.37 112.57 0.92 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.371 -0.831 . . . . 0.0 109.621 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.07 30.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.316 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' 1002 ' ' GLU . 99.2 m-20 -89.89 115.39 27.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.91 -49.13 77.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.144 -0.972 . . . . 0.0 109.451 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' 1006 ' ' GLU . 3.5 mp0 -76.41 172.5 12.84 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.419 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 75.1 -67.49 2.1 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.225 -1.162 . . . . 0.0 109.292 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.936 0 N-CA-C 119.774 2.67 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -172.98 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 11.6 ptp -163.28 -162.36 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.513 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 86.55 154.01 24.34 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 690' ' ' GLY . 80.4 p -171.22 38.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -1.092 . . . . 0.0 109.455 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt 47.84 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.373 -0.829 . . . . 0.0 110.038 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' B' ' 688' ' ' SER . . . -91.33 -79.18 1.39 Allowed Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -35.17 -86.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.814 2.342 . . . . 0.0 112.65 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' B' ' 694' ' ' LEU . 20.5 t0 -167.35 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.972 -1.08 . . . . 0.0 109.948 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' B' ' 692' ' ' ASP . 15.0 tt -12.17 -49.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 C-N-CA 123.579 0.752 . . . . 0.0 112.77 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' B' ' 692' ' ' ASP . 24.5 tp -52.54 -41.88 63.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.937 -1.102 . . . . 0.0 109.34 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 692' ' ' ASP . 77.5 t -63.45 -54.47 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.027 . . . . 0.0 110.452 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 6.4 m -71.79 -32.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 120.965 -1.085 . . . . 0.0 109.341 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.22 -48.47 78.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.082 -1.011 . . . . 0.0 108.488 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.03 -49.49 75.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 29.5 t -56.62 -52.51 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.23 -53.39 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.548 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m -71.34 -25.34 62.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.404 HG22 HD11 ' B' ' 721' ' ' ILE . 37.9 mt -71.1 -30.76 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.0 109.684 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -53.33 -27.61 24.29 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.978 -1.076 . . . . 0.0 108.811 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -87.48 -38.7 15.84 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.37 -0.831 . . . . 0.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -44.31 -33.79 1.73 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.948 -1.095 . . . . 0.0 110.207 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -58.76 4.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.04 -1.037 . . . . 0.0 109.112 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 60.2 tt0 -62.31 -47.9 82.24 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -51.03 -39.18 55.27 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.28 -59.8 2.56 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -26.12 4.51 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.218 -0.926 . . . . 0.0 109.505 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 38.2 t80 -71.38 -60.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 109.598 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.36 -23.89 67.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.11 -0.994 . . . . 0.0 108.896 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -63.69 -45.9 87.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.417 -0.802 . . . . 0.0 109.09 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.46 -47.68 82.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -62.66 -22.26 66.33 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.363 -0.836 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.2 -48.27 13.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 109.557 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -57.81 -29.23 64.73 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.046 -1.034 . . . . 0.0 109.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.36 69.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.378 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 741' ' ' THR . 6.5 mmmt -62.55 -63.77 1.13 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.378 -0.826 . . . . 0.0 109.782 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -51.07 -20.53 1.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.5 t0 -94.56 19.65 9.53 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.462 0.648 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.507 ' N ' ' O ' ' B' ' 738' ' ' LYS . 1.9 m -169.16 -137.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.585 -0.697 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.531 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 56.22 -131.14 1.74 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.13 37.36 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.418 -0.801 . . . . 0.0 110.062 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.531 ' H ' ' C ' ' B' ' 742' ' ' ALA . 15.8 t-20 -137.58 66.0 49.03 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 110.192 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -92.86 22.25 0.61 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.653 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -34.93 21.27 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.291 -0.881 . . . . 0.0 109.172 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -56.52 6.45 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -44.91 -39.73 5.69 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.351 0.596 . . . . 0.0 109.662 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -69.8 -57.66 4.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.398 -0.813 . . . . 0.0 109.317 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 52.56 31.72 10.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.341 -0.849 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 10.5 p -83.11 -85.31 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.225 1.012 . . . . 0.0 109.157 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 28.5 p -151.73 121.68 7.1 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.026 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 90.6 m -85.8 -79.75 0.24 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 0.0 109.274 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -136.97 7.43 2.93 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.743 0.782 . . . . 0.0 109.188 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.5 m -84.51 18.08 2.42 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.34 31.86 1.65 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.583 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.02 146.76 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.18 172.81 15.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.945 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -84.19 145.9 28.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.898 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 -64.02 144.75 56.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.521 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -161.99 -79.03 0.03 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.257 -1.143 . . . . 0.0 109.492 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' A' ' 957' ' ' MET . . . . . . . . 1 N--CA 1.531 4.971 0 N-CA-C 119.713 2.645 . . . . 0.0 119.713 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -75.83 38.52 0.16 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -1.162 . . . . 0.0 109.509 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' ' 955' ' ' GLY . 13.3 mtp -77.3 131.64 38.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.519 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 178.36 -63.28 0.08 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 961' ' ' GLU . 2.2 t 51.54 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.147 . . . . 0.0 109.503 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.516 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 17.5 mm-40 -74.35 5.97 4.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 3.5 mp0 -87.99 -18.01 29.97 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.756 -0.59 . . . . 0.0 109.504 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 47.24 56.33 7.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -152.12 -52.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 109.408 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.51 69.27 2.8 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.668 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.16 86.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.037 2.491 . . . . 0.0 112.012 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.7 mm -53.38 -22.05 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.32 -0.863 . . . . 0.0 109.991 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -53.15 -51.19 62.79 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -54.78 -52.05 63.82 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.94 -44.45 94.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -55.49 -50.18 70.59 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.519 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -62.01 -38.89 90.33 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.551 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -67.88 -45.48 74.35 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.8 0.809 . . . . 0.0 109.067 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 25.3 t -57.11 -1.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 O-C-N 121.49 -0.756 . . . . 0.0 109.448 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.551 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.35 -28.77 0.41 Allowed Glycine 0 N--CA 1.501 3.031 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 988' ' ' TRP . 51.1 t80 -86.47 -16.55 36.73 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.674 -0.898 . . . . 0.0 109.685 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.0 -21.39 15.05 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.341 1.067 . . . . 0.0 108.455 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.87 -46.5 89.15 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.583 ' C ' ' H ' ' A' ' 997' ' ' ARG . 47.7 mtp180 -86.2 -142.99 0.1 Allowed 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.58 0.705 . . . . 0.0 109.821 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 997' ' ' ARG . 8.7 t30 45.99 10.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.16 0.505 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.583 ' H ' ' C ' ' A' ' 995' ' ' ARG . 1.6 mmt85 -32.12 96.93 0.1 OUTLIER Pre-proline 0 N--CA 1.494 1.763 0 C-N-CA 122.76 0.424 . . . . 0.0 111.933 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.9 Cg_endo -80.76 1.43 9.3 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.0 Cg_endo -92.0 -149.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 CA-C-N 122.534 1.941 . . . . 0.0 111.54 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 999' ' ' PRO . 11.8 mt -57.71 -110.69 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.096 -1.002 . . . . 0.0 109.496 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 51.81 72.92 0.35 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.391 -0.818 . . . . 0.0 109.56 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.537 ' H ' ' CD ' ' A' 1002 ' ' GLU . 22.4 mp0 -83.48 154.47 23.89 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.05 29.49 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.0 109.392 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -94.45 27.84 2.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.348 -0.845 . . . . 0.0 109.567 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -111.05 -85.13 0.56 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.96 116.89 2.2 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.282 -0.887 . . . . 0.0 109.482 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.01 24.76 0.03 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.2 tp10 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.295 -1.121 . . . . 0.0 109.526 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.728 2.651 . . . . 0.0 119.728 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -57.31 106.42 0.32 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -1.155 . . . . 0.0 109.457 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -169.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.496 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -64.78 -121.74 0.01 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 22.9 m -152.33 163.96 38.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.22 -1.165 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.54 -67.2 0.83 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.623 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -47.68 -82.17 0.04 OUTLIER Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' B' ' 692' ' ' ASP . 30.2 Cg_endo -63.91 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 110.933 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.413 ' H ' ' HB2' ' B' ' 691' ' ' PRO . 36.7 t0 -132.86 -96.49 0.31 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 9.9 tt -170.99 -33.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -43.34 98.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.483 -0.761 . . . . 0.0 109.216 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.57 -54.24 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 110.024 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 5.1 m -69.22 -37.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.101 -0.999 . . . . 0.0 109.462 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.1 tp -67.37 -43.99 80.07 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.127 -0.983 . . . . 0.0 108.888 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.11 -45.77 65.02 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.291 -0.881 . . . . 0.0 109.027 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 4.1 t -57.2 -52.52 64.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.309 -0.869 . . . . 0.0 109.659 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.77 -35.36 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.505 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m -70.27 -41.23 73.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.6 -23.97 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.778 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -70.37 -33.02 70.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.16 -28.87 22.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.507 -0.745 . . . . 0.0 110.082 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -45.35 -33.47 2.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.102 -0.999 . . . . 0.0 109.972 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -58.98 4.2 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.128 -0.982 . . . . 0.0 108.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.7 -46.31 86.07 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -52.5 -38.05 58.69 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.37 -56.16 4.78 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -29.5 11.98 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.155 -0.966 . . . . 0.0 108.803 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -70.24 -60.37 2.32 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.05 -29.72 68.72 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.381 0.61 . . . . 0.0 109.395 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.77 -44.44 90.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 109.515 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -61.16 -47.17 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -62.97 -22.82 67.1 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.233 -0.917 . . . . 0.0 109.628 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -74.81 -47.89 28.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.946 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -62.51 -41.44 98.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.143 -0.973 . . . . 0.0 110.0 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.78 -43.44 27.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.047 -1.033 . . . . 0.0 109.456 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.1 mmmt -70.12 -57.67 4.68 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.783 0.802 . . . . 0.0 109.791 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.518 ' C ' ' H ' ' B' ' 741' ' ' THR . 4.3 t-105 -51.07 -21.79 2.06 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.86 14.21 0.71 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.518 ' H ' ' C ' ' B' ' 739' ' ' TRP . 55.2 p -153.95 -150.42 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 56.95 107.06 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.232 -0.917 . . . . 0.0 109.206 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 743' ' ' ASN . 28.7 t-20 56.06 22.81 6.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 110.306 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -138.16 65.77 44.09 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -92.93 21.96 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 123.001 2.467 . . . . 0.0 112.728 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.17 -37.38 23.75 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.298 -0.876 . . . . 0.0 108.988 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -57.15 3.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -43.95 -31.06 0.8 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.296 0.569 . . . . 0.0 109.619 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.55 -61.8 2.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.372 -0.83 . . . . 0.0 108.97 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -170.29 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.45 ' O ' ' OG1' ' B' ' 751' ' ' THR . 0.5 OUTLIER -179.99 31.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.464 -0.773 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 1.9 t 176.34 160.9 0.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.067 -1.021 . . . . 0.0 109.64 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.0 m -157.27 -84.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 755' ' ' THR . 12.4 t80 -77.54 -155.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.437 -0.789 . . . . 0.0 109.226 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.415 ' C ' ' O ' ' B' ' 754' ' ' PHE . 10.2 t 38.34 35.83 0.11 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.688 -0.632 . . . . 0.0 110.49 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -124.3 28.76 6.58 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.625 -0.672 . . . . 0.0 109.414 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.401 ' H ' HD11 ' B' ' 757' ' ' ILE . 1.2 mp -80.79 111.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.508 ' C ' ' H ' ' B' ' 760' ' ' ARG . 49.1 p -61.21 166.66 3.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' B' ' 761' ' ' GLY . 1.4 p90 -75.76 24.33 0.12 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.171 -0.956 . . . . 0.0 109.395 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' B' ' 758' ' ' THR . 25.8 mtp180 36.86 32.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.305 0.574 . . . . 0.0 110.548 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 759' ' ' TYR . . . 68.98 -129.54 24.05 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.252 -1.146 . . . . 0.0 109.466 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.919 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.97 69.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.213 -1.169 . . . . 0.0 109.403 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 35.8 mtm -81.06 -129.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.362 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.424 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -79.38 -78.28 0.87 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 60.1 p 49.23 89.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -1.164 . . . . 0.0 109.414 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.513 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 21.3 mp0 -79.22 6.21 10.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 2.2 mp0 -71.11 -37.96 72.34 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.791 -0.568 . . . . 0.0 109.559 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -77.35 161.1 28.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.675 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -149.1 9.07 0.75 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.256 -0.903 . . . . 0.0 109.556 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 14.6 mt 44.98 66.93 4.61 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.162 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.57 82.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 123.025 2.483 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.7 mm -51.79 -22.03 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 120.965 -1.084 . . . . 0.0 109.69 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -54.56 -50.38 68.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -55.14 -55.4 31.61 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.058 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 10.1 t -59.81 -39.52 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 966' ' ' ILE . 5.5 tt -59.99 -50.66 72.88 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.54 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.54 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -66.13 -35.16 79.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 mptt -75.04 -40.76 60.17 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.706 0.765 . . . . 0.0 109.019 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -4.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.11 -0.994 . . . . 0.0 108.759 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.17 -29.58 0.33 Allowed Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.6 t80 -86.39 -16.54 36.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.235 -1.156 . . . . 0.0 109.855 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -14.19 24.67 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.304 1.05 . . . . 0.0 108.592 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -76.39 -43.8 38.99 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.02 0.914 . . . . 0.0 108.847 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 997' ' ' ARG . 76.5 mtp180 -79.94 -0.16 33.9 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.818 0.818 . . . . 0.0 111.697 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 997' ' ' ARG . 22.8 t-20 -51.03 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 O-C-N 121.756 -0.59 . . . . 0.0 109.547 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' A' ' 995' ' ' ARG . 6.4 mmt180 -29.01 95.23 0.06 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.05 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.9 Cg_endo -90.77 15.25 1.84 Allowed 'Trans proline' 0 CA--C 1.564 2.023 0 C-N-CA 121.854 1.703 . . . . 0.0 116.027 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 41.2 Cg_endo -88.07 -156.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 CA-C-N 122.223 1.83 . . . . 0.0 111.936 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.0 tp -93.31 48.92 1.35 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.128 -0.983 . . . . 0.0 109.018 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1002 ' ' GLU . 6.6 tm-20 -75.84 6.47 5.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.154 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1001 ' ' GLU . 25.3 mt-10 -59.04 -145.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.865 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -42.96 108.6 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.369 -0.832 . . . . 0.0 110.091 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -167.36 90.73 0.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.08 -118.45 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.353 -0.842 . . . . 0.0 109.761 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.51 152.94 24.59 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 162.62 154.78 7.74 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.5 tp10 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.238 -1.154 . . . . 0.0 109.657 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.813 2.685 . . . . 0.0 119.813 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -59.54 156.6 13.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -1.142 . . . . 0.0 109.497 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 686' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 686' ' ' MET . 0.0 OUTLIER -163.57 156.52 18.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.287 -0.883 . . . . 0.0 109.451 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 58.57 -136.56 50.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.7 m -158.51 109.57 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -1.156 . . . . 0.0 109.374 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -82.42 17.92 1.6 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.531 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.15 -64.6 2.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.1 -100.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.882 2.388 . . . . 0.0 111.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' B' ' 694' ' ' LEU . 36.1 t0 -157.26 -23.73 0.09 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 110.231 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 17.5 tt 48.96 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.648 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.637 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.99 -55.01 5.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.412 -1.43 . . . . 0.0 109.826 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.43 -53.92 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 111.643 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 8.2 m -58.17 -38.76 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.844 -1.16 . . . . 0.0 110.427 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.73 -43.69 94.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.898 -1.126 . . . . 0.0 108.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.85 -41.78 74.85 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.915 . . . . 0.0 108.711 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 10.4 t -63.42 -46.58 85.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.232 -0.918 . . . . 0.0 108.987 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.12 -51.39 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.368 -0.832 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 972' ' ' GLY . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.536 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m -73.58 -30.21 62.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.15 -39.81 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.977 -1.077 . . . . 0.0 109.862 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.62 -32.2 50.25 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.881 -1.137 . . . . 0.0 108.412 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.58 -30.7 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -46.09 -33.07 3.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.9 -1.125 . . . . 0.0 109.771 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.39 3.18 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.073 -1.017 . . . . 0.0 109.24 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' B' ' 730' ' ' PHE . 47.7 tt0 -62.84 -47.87 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -51.41 -38.94 56.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.47 -59.74 2.59 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.71 -27.69 5.11 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.3 t80 -69.14 -60.88 2.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.252 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.43 -24.64 66.48 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.76 -0.588 . . . . 0.0 109.456 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -63.45 -46.22 87.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.55 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.91 -40.4 72.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -68.96 -26.18 64.92 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.2 -0.937 . . . . 0.0 109.5 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.01 44.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' B' ' 740' ' ' ASP . 88.9 mtt180 -66.35 -39.19 89.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.262 -0.899 . . . . 0.0 109.71 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.23 31.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 741' ' ' THR . 11.0 mmtt -66.73 -64.08 0.93 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.371 -0.83 . . . . 0.0 109.698 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -51.34 -21.24 2.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' B' ' 736' ' ' ARG . 28.2 t0 -84.67 18.62 2.28 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.603 0.716 . . . . 0.0 109.103 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 738' ' ' LYS . 62.4 p -153.86 -148.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.539 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 55.85 -132.89 1.6 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.058 -1.026 . . . . 0.0 108.43 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.05 34.98 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.374 -0.829 . . . . 0.0 109.87 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' B' ' 742' ' ' ALA . 53.1 t30 -138.77 67.93 43.24 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.046 -1.034 . . . . 0.0 109.779 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -93.14 25.78 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 123.218 2.612 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.03 -39.66 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.645 -0.66 . . . . 0.0 109.903 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' B' ' 749' ' ' GLU . 1.4 t80 -79.56 -65.66 0.97 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -42.07 -24.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.268 0.556 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 747' ' ' TYR . 3.2 tp10 -79.17 -64.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -177.21 -7.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.669 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.24 40.73 14.2 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.755 -1.216 . . . . 0.0 109.073 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.1 m 61.09 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.438 ' C ' ' H ' ' B' ' 755' ' ' THR . 55.2 m -160.88 -33.69 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.407 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 57.3 t80 -75.82 10.81 1.62 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.388 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.438 ' H ' ' C ' ' B' ' 753' ' ' THR . 5.1 t -89.98 14.79 11.34 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.685 -0.635 . . . . 0.0 109.804 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -141.84 57.54 1.49 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.961 . . . . 0.0 109.688 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.618 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 2.5 mp -49.23 120.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.466 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 17.8 p -82.23 147.05 29.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.422 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -48.56 137.11 12.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.201 -0.937 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -76.29 -176.41 3.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.908 . . . . 0.0 109.446 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -49.42 -33.34 16.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.259 -1.142 . . . . 0.0 109.434 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.729 2.652 . . . . 0.0 119.729 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.77 -5.65 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 28.0 ttt -162.22 -21.08 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 0.0 109.46 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -174.27 163.71 34.57 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 961' ' ' GLU . 23.2 t -163.94 166.42 21.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.22 6.77 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.902 . . . . 0.0 109.358 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 959' ' ' SER . 29.3 mt-10 -89.59 -28.19 19.72 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.671 -0.643 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -76.09 112.77 12.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.543 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -85.3 17.24 3.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.954 . . . . 0.0 109.583 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 10.4 mt 50.46 63.87 9.26 Favored Pre-proline 0 C--N 1.304 -1.394 0 O-C-N 121.269 -0.894 . . . . 0.0 109.269 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 71.7 Cg_endo -89.62 64.64 2.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.118 2.545 . . . . 0.0 112.254 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.97 -21.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.493 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.0 OUTLIER -50.79 -49.61 57.95 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -53.57 -52.01 61.13 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.369 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.13 -45.0 97.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 974' ' ' LEU . 6.8 tp -58.97 -49.31 78.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 970' ' ' LEU . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 989' ' ' LYS . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.469 ' NE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.05 -34.12 77.66 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.6 mptt -79.95 -36.15 36.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.64 -0.662 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -6.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 O-C-N 120.873 -1.142 . . . . 0.0 108.713 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.83 -29.54 0.3 Allowed Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -85.21 -16.98 38.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.156 -1.202 . . . . 0.0 110.11 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -14.42 30.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 122.342 1.067 . . . . 0.0 108.418 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -68.67 -40.76 79.98 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -99.78 107.45 19.5 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.782 0.801 . . . . 0.0 109.185 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -123.46 34.54 5.07 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 7.6 mmt180 -108.46 91.28 8.2 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.728 -0.607 . . . . 0.0 112.342 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 39.7 Cg_endo -89.64 14.63 2.12 Favored 'Trans proline' 0 CA--C 1.567 2.139 0 C-N-CA 122.01 1.806 . . . . 0.0 115.55 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 24.2 Cg_endo -88.42 -107.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.344 0 CA-C-N 122.275 1.848 . . . . 0.0 111.491 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.38 59.65 1.73 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -49.94 116.72 1.94 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -91.68 79.45 5.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.7 83.48 4.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.465 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.513 ' O ' ' C ' ' A' 1005 ' ' GLU . 1.1 p30 -84.96 -165.04 1.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' 1004 ' ' ASP . 40.3 mt-10 12.44 -116.04 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 123.171 0.589 . . . . 0.0 112.506 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.1 -79.05 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 109.471 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -135.15 -41.38 0.14 Allowed Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 109.321 179.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.49 134.78 51.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -1.134 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 14.6 mmt 52.47 -143.04 0.72 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 88.36 -146.61 19.64 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 1.9 t -144.9 128.09 16.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.188 -1.184 . . . . 0.0 109.164 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -88.97 -49.09 6.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.242 -0.911 . . . . 0.0 110.058 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -46.54 -63.11 3.24 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.7 Cg_exo -55.25 -131.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.469 2.113 . . . . 0.0 112.075 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.641 ' C ' ' H ' ' B' ' 694' ' ' LEU . 34.5 t0 -159.05 -26.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.314 -0.866 . . . . 0.0 109.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 3.4 tp 51.23 -4.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.088 0.47 . . . . 0.0 111.107 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.641 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.29 -54.14 7.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.438 -1.414 . . . . 0.0 109.252 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.78 -53.2 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.446 -0.784 . . . . 0.0 110.39 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' B' ' 697' ' ' LEU . 5.3 m -60.17 -46.02 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.079 -1.013 . . . . 0.0 109.971 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' B' ' 696' ' ' VAL . 11.9 tp -57.53 -41.86 81.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.111 -0.993 . . . . 0.0 109.391 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.78 -41.65 91.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.245 -0.91 . . . . 0.0 109.313 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 35.5 p -64.05 -52.54 58.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.146 -0.971 . . . . 0.0 109.855 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t -63.27 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.125 -0.985 . . . . 0.0 109.254 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 972' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' B' ' 716' ' ' LYS . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.469 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m -76.86 -36.41 56.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.69 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.021 -1.049 . . . . 0.0 110.15 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -51.91 -32.14 31.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.728 -1.232 . . . . 0.0 108.386 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -87.99 -33.83 18.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.497 -0.752 . . . . 0.0 110.724 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -45.99 -32.41 2.75 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.945 -1.097 . . . . 0.0 109.745 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -58.46 4.49 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.174 -0.954 . . . . 0.0 108.95 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 730' ' ' PHE . 40.6 tt0 -61.68 -49.35 76.86 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.8 -42.66 36.7 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.03 1.55 Allowed 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -24.4 1.79 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.396 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' B' ' 726' ' ' GLU . 33.9 t80 -67.05 -61.23 2.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.194 -0.941 . . . . 0.0 109.684 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.61 -23.54 63.53 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.612 -0.68 . . . . 0.0 109.826 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.0 -40.19 94.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -76.67 -38.73 54.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.254 -0.904 . . . . 0.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -64.84 -22.99 67.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.066 -1.021 . . . . 0.0 109.797 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -84.31 -47.14 11.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.958 . . . . 0.0 110.061 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' B' ' 740' ' ' ASP . 52.9 mtt85 -78.45 -24.3 46.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.28 -44.66 16.72 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.057 -1.027 . . . . 0.0 109.703 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 740' ' ' ASP . 0.0 OUTLIER -75.12 -62.63 1.49 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.805 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' B' ' 741' ' ' THR . 22.6 t-105 -50.93 -21.07 1.54 Allowed 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.446 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.2 t70 -75.7 7.98 3.36 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.734 0.778 . . . . 0.0 109.137 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 1.6 m -169.81 -141.34 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.548 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.6 -133.49 1.7 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -67.49 37.71 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.33 -0.856 . . . . 0.0 109.867 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' B' ' 742' ' ' ALA . 12.4 t-20 -137.43 66.02 50.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.008 . . . . 0.0 110.124 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -93.3 22.57 0.56 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 123.039 2.493 . . . . 0.0 112.407 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -22.74 4.33 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.442 -0.787 . . . . 0.0 109.353 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -80.45 -69.83 0.57 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.665 0.745 . . . . 0.0 108.998 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -44.2 -31.16 0.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.753 -0.592 . . . . 0.0 109.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.57 -55.34 11.97 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.277 -0.889 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' B' ' 751' ' ' THR . . . 61.1 21.69 12.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.554 -0.716 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 750' ' ' ALA . 17.5 p 47.03 44.98 15.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' B' ' 752' ' ' SER . 53.3 p -155.49 81.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.424 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.7 m -153.45 -47.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.57 161.5 5.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.406 -0.809 . . . . 0.0 109.839 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' B' ' 755' ' ' THR . 8.0 m 44.74 53.99 6.95 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.126 0.965 . . . . 0.0 109.484 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -90.36 11.13 22.39 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.072 -1.018 . . . . 0.0 109.63 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.622 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 1.1 mp -88.81 89.39 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 0.0 109.388 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 27.8 m -162.19 6.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.34 30.87 0.67 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.655 -0.653 . . . . 0.0 109.378 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' B' ' 762' ' ' THR . 32.6 mtp180 -111.72 85.81 2.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.628 -0.67 . . . . 0.0 109.254 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -74.51 27.96 1.04 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 760' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.201 -1.176 . . . . 0.0 109.453 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.993 0 N-CA-C 119.811 2.684 . . . . 0.0 119.811 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.92 48.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -1.157 . . . . 0.0 109.439 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 13.3 mmt 50.04 72.32 0.34 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.88 . . . . 0.0 109.432 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 959' ' ' SER . . . -175.01 154.0 17.13 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.448 ' HG ' ' N ' ' A' ' 960' ' ' GLU . 1.2 t 169.86 172.42 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -1.093 . . . . 0.0 109.202 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.448 ' N ' ' HG ' ' A' ' 959' ' ' SER . 28.4 mt-10 -137.81 4.69 2.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -122.94 -33.46 3.34 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -50.75 176.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.357 -0.839 . . . . 0.0 109.646 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.09 32.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.417 -0.802 . . . . 0.0 108.973 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.0 mt 46.56 66.6 5.33 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.21 77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.074 2.516 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 964' ' ' ILE . 2.1 mt -67.55 -26.04 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.543 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -49.91 -50.88 44.61 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.94 1.352 . . . . 0.0 107.368 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.0 -58.24 7.66 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.303 179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 37.9 t -60.99 -40.53 85.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 966' ' ' ILE . 5.3 tt -59.01 -49.21 78.75 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . 0.43 ' C ' ' CD1' ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.512 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -64.83 -35.98 82.86 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.1 tptt -67.27 -41.76 84.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.958 0.885 . . . . 0.0 108.633 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 6.7 t -55.86 -2.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.53 -0.732 . . . . 0.0 109.22 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.08 -27.13 0.17 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 988' ' ' TRP . 52.8 t80 -86.13 -14.19 44.9 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.513 -0.993 . . . . 0.0 109.681 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.48 -14.44 23.7 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 122.518 1.152 . . . . 0.0 107.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -56.05 -40.81 74.07 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -85.96 -135.59 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.708 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.4 t30 46.4 25.58 0.4 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 122.139 0.971 . . . . 0.0 109.271 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.468 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 5.3 mmt85 -107.32 95.74 14.18 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.703 -0.623 . . . . 0.0 111.485 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 32.7 Cg_endo -90.82 15.92 1.71 Allowed 'Trans proline' 0 CA--C 1.565 2.031 0 C-N-CA 121.992 1.795 . . . . 0.0 115.741 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1001 ' ' GLU . 54.9 Cg_endo -84.86 -152.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 CA-C-N 122.197 1.82 . . . . 0.0 110.981 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.1 tp -68.68 56.33 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.877 -1.14 . . . . 0.0 109.118 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' 1003 ' ' ASP . 22.7 tt0 -131.8 -69.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.476 -0.765 . . . . 0.0 109.485 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.88 37.93 0.07 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' 1001 ' ' GLU . 37.6 t70 -100.63 63.02 1.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.33 -0.856 . . . . 0.0 109.364 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' 1006 ' ' GLU . 10.1 t0 -159.29 137.46 10.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.206 -0.934 . . . . 0.0 109.563 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' 1005 ' ' GLU . 10.8 mp0 -78.88 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.315 -0.866 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' 1004 ' ' ASP . 44.9 mt-10 -69.95 -176.32 1.09 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.271 -0.893 . . . . 0.0 109.439 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.54 48.14 3.78 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.273 -1.133 . . . . 0.0 109.529 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.988 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.09 73.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -1.169 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.6 ttt -63.12 133.5 54.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.198 -0.939 . . . . 0.0 109.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 179.34 165.54 33.69 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 10.3 m -74.05 108.2 6.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.294 -1.121 . . . . 0.0 109.439 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -77.57 -4.64 46.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.42 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -76.88 0.33 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.37 -103.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.647 2.232 . . . . 0.0 111.717 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.619 ' C ' ' H ' ' B' ' 694' ' ' LEU . 18.7 t0 -163.55 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 17.9 tt 48.66 -6.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.08 -53.38 7.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.547 -1.346 . . . . 0.0 109.155 179.353 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.68 -53.43 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.457 -0.777 . . . . 0.0 110.734 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' B' ' 697' ' ' LEU . 17.0 m -56.3 -46.85 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.95 -1.094 . . . . 0.0 110.128 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.511 ' CD1' ' SD ' ' B' ' 701' ' ' MET . 0.2 OUTLIER -56.83 -42.79 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.019 . . . . 0.0 109.444 -179.733 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.45 -44.44 68.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 109.02 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 38.0 t -66.2 -44.76 82.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 109.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t -53.52 -44.76 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.358 -0.839 . . . . 0.0 110.043 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.511 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.481 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m -58.63 -24.89 62.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.0 mt -72.63 -47.33 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.107 -0.996 . . . . 0.0 109.42 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -52.09 -27.63 14.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.74 -1.225 . . . . 0.0 108.041 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -87.96 -26.12 22.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.707 -0.62 . . . . 0.0 110.47 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -46.64 -31.36 2.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.863 -1.148 . . . . 0.0 109.539 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -59.29 3.03 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.102 -0.999 . . . . 0.0 109.13 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 730' ' ' PHE . 7.7 tm-20 -63.07 -48.72 77.44 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -50.92 -40.01 56.0 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.76 -61.28 1.84 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -23.79 2.02 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.425 -0.797 . . . . 0.0 109.204 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' B' ' 726' ' ' GLU . 56.0 t80 -70.07 -60.27 2.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.464 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.85 -25.83 68.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.886 . . . . 0.0 109.487 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -65.89 -49.87 66.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 0.0 109.513 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -59.98 -42.97 95.32 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.361 -0.837 . . . . 0.0 109.656 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.02 -35.78 78.85 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.16 -0.963 . . . . 0.0 109.749 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -73.6 -37.83 65.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.0 109.657 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.05 -40.67 52.83 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -44.96 -36.67 3.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.319 -0.863 . . . . 0.0 109.912 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 741' ' ' THR . 3.0 mmpt? -72.0 -66.21 0.67 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.304 -0.872 . . . . 0.0 109.921 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -51.09 -20.01 1.3 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' B' ' 741' ' ' THR . 45.0 t0 -66.25 -24.42 66.58 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.706 0.765 . . . . 0.0 109.43 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.428 ' O ' ' O ' ' B' ' 738' ' ' LYS . 20.8 p -160.83 145.11 13.78 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -176.91 -13.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.017 0.913 . . . . 0.0 108.965 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.533 ' O ' ' C ' ' B' ' 744' ' ' ASN . 0.5 OUTLIER -173.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.533 ' C ' ' O ' ' B' ' 743' ' ' ASN . 16.7 t-20 -2.45 76.52 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.595 0 C-N-CA 123.324 0.65 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.11 11.16 3.42 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.576 2.184 . . . . 0.0 113.294 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.9 -35.39 18.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.026 . . . . 0.0 108.969 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -89.19 -49.43 6.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 747' ' ' TYR . 85.2 tttt -41.16 -36.38 0.73 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.474 0.654 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' B' ' 750' ' ' ALA . 1.8 mt-10 -78.29 -70.6 0.48 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' B' ' 749' ' ' GLU . . . 162.69 27.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 752' ' ' SER . 33.6 p 45.92 26.04 0.36 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 751' ' ' THR . 1.1 t 164.17 109.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 66.5 m -152.46 -74.2 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.684 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 756' ' ' ASN . 6.8 t80 -57.86 145.27 35.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 109.439 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 754' ' ' PHE . 9.2 t 36.83 25.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.153 0.502 . . . . 0.0 110.839 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 754' ' ' PHE . 9.1 t-20 -143.66 38.0 1.34 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.191 -0.943 . . . . 0.0 109.802 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.615 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 2.5 mp -48.43 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.001 . . . . 0.0 109.435 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.404 ' C ' ' H ' ' B' ' 760' ' ' ARG . 1.1 m -74.26 -149.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.35 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 62.3 t80 -82.62 28.34 0.48 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.4 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' B' ' 758' ' ' THR . 63.3 mtt85 -98.5 130.28 45.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.437 -0.79 . . . . 0.0 109.391 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -163.3 140.23 6.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.476 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.978 0 N-CA-C 119.722 2.649 . . . . 0.0 119.722 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 958' ' ' GLY . . . -76.15 -67.02 0.72 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.322 -1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.4 OUTLIER -63.21 -2.56 1.42 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.61 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 956' ' ' ALA . . . -72.84 -37.81 56.81 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 49.3 p -161.03 132.07 5.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -1.165 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -87.0 9.08 20.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.568 ' C ' ' H ' ' A' ' 963' ' ' ALA . 50.8 mt-10 -83.56 -77.07 0.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.756 -0.59 . . . . 0.0 109.729 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.533 ' C ' ' H ' ' A' ' 964' ' ' ILE . 53.4 ttp85 62.12 -10.37 0.08 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.414 -0.804 . . . . 0.0 110.47 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 961' ' ' GLU . . . 73.69 -31.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.187 -0.945 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' A' ' 962' ' ' ARG . 11.7 mt 47.66 65.43 7.02 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.85 . . . . 0.0 109.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -88.24 77.94 1.46 Allowed 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 123.206 2.604 . . . . 0.0 112.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.2 mt -52.39 -23.04 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.464 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -52.63 54.65 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.88 -50.89 69.41 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.614 -1.176 . . . . 0.0 108.182 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 16.8 t -60.1 -43.58 93.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -58.0 -49.8 75.59 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . 0.48 ' O ' ' CG2' ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 980' ' ' LEU . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.5 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -63.2 -38.11 89.87 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.563 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -67.3 -41.09 85.94 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.824 0.821 . . . . 0.0 109.03 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 11.7 t -56.6 -2.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.379 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.99 -28.88 0.13 Allowed Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 988' ' ' TRP . 56.2 t80 -81.29 -18.26 46.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.594 -0.945 . . . . 0.0 109.721 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.31 -10.21 36.24 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 122.509 1.147 . . . . 0.0 108.016 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.84 -40.52 40.08 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.514 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.689 ' C ' ' H ' ' A' ' 997' ' ' ARG . 12.9 mtp-105 -92.75 -43.06 9.24 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.82 0.819 . . . . 0.0 110.782 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 997' ' ' ARG . 35.4 t30 -67.03 18.57 0.02 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.689 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -24.83 92.76 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.93 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.465 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 85.1 Cg_endo -75.05 -6.01 17.49 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 N-CA-C 116.452 1.674 . . . . 0.0 116.452 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 23.6 Cg_endo -93.53 -160.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 CA-C-N 122.598 1.964 . . . . 0.0 111.8 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.9 81.44 3.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.231 -0.918 . . . . 0.0 108.626 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -45.5 155.92 0.14 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.216 -0.928 . . . . 0.0 110.054 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' 1003 ' ' ASP . 74.2 mt-10 -82.66 56.81 3.49 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.303 -0.873 . . . . 0.0 109.319 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' 1002 ' ' GLU . 17.2 t0 59.17 152.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.392 -0.818 . . . . 0.0 110.027 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' 1003 ' ' ASP . 7.9 p-10 -73.89 -141.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.27 -0.893 . . . . 0.0 109.644 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' 1006 ' ' GLU . 19.1 tt0 53.3 -122.65 2.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.57 -0.706 . . . . 0.0 109.729 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' 1005 ' ' GLU . 29.7 mt-10 33.4 49.5 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.522 0.677 . . . . 0.0 110.729 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 161.32 -93.98 0.12 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.241 -1.152 . . . . 0.0 109.481 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 685' ' ' ALA . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.69 2.636 . . . . 0.0 119.69 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 684' ' ' GLY . . . 57.55 108.89 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -1.093 . . . . 0.0 109.529 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.1 mtt 52.93 -142.12 0.81 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -168.85 -155.55 9.79 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 59.5 p -67.47 173.83 3.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 0.0 109.522 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.44 -7.8 59.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.894 . . . . 0.0 109.181 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -171.1 -56.08 0.04 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.468 ' O ' ' O ' ' B' ' 690' ' ' GLY . 76.8 Cg_exo -51.62 -127.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.547 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.573 ' C ' ' H ' ' B' ' 694' ' ' LEU . 43.0 t0 -156.51 -35.1 0.08 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.019 -1.051 . . . . 0.0 109.448 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 62.29 -12.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.701 -0.625 . . . . 0.0 110.015 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.74 -54.62 6.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.851 -1.156 . . . . 0.0 110.494 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.39 -54.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.009 . . . . 0.0 111.021 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.84 -37.89 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.002 -1.062 . . . . 0.0 109.88 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.497 ' O ' ' SD ' ' B' ' 701' ' ' MET . 63.3 tp -57.55 -56.39 22.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.14 -31.69 32.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.192 -0.943 . . . . 0.0 109.737 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 5.0 m -63.74 -52.18 61.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.0 109.912 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -31.63 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.124 -0.985 . . . . 0.0 108.985 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.414 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.476 ' CD1' ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m -75.89 -25.19 55.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.405 HD12 HG21 ' B' ' 721' ' ' ILE . 26.8 mt -71.09 -44.31 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.107 -0.995 . . . . 0.0 109.093 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -51.35 -26.23 7.32 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.861 -1.149 . . . . 0.0 108.308 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -87.56 -33.83 18.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.621 -0.674 . . . . 0.0 110.28 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -46.55 -34.86 5.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.918 -1.114 . . . . 0.0 109.293 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -58.66 4.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.279 -0.888 . . . . 0.0 108.754 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 730' ' ' PHE . 57.8 tt0 -61.58 -49.08 78.07 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -50.5 -41.24 53.18 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.82 -23.57 1.94 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.398 -0.814 . . . . 0.0 109.21 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 726' ' ' GLU . 35.2 t80 -68.92 -61.23 1.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.953 . . . . 0.0 109.303 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.2 -25.05 66.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.712 -0.618 . . . . 0.0 109.627 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -72.0 -42.89 65.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 109.277 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.55 -40.49 94.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 0.0 109.061 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.79 -31.39 72.33 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.323 -0.86 . . . . 0.0 109.461 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.75 26.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 109.871 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.86 -46.02 39.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.04 45.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.4 mmmt -63.24 -63.52 1.17 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.476 -0.765 . . . . 0.0 110.011 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -51.55 -20.94 2.17 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.405 ' O ' ' CG2' ' B' ' 741' ' ' THR . 20.4 t70 -91.18 12.01 21.46 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.597 0.713 . . . . 0.0 109.34 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.521 ' N ' ' O ' ' B' ' 738' ' ' LYS . 37.6 p -157.9 -127.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 56.24 -135.61 1.23 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -77.56 40.27 0.29 Allowed 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.453 -0.779 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' B' ' 744' ' ' ASN . 22.9 p-10 -46.79 111.48 1.57 Allowed Pre-proline 0 C--N 1.314 -0.978 0 O-C-N 120.866 -1.146 . . . . 0.0 109.607 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.71 15.08 2.13 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.074 1.849 . . . . 0.0 112.235 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 6.9 mt -79.43 -45.95 18.46 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.629 -0.67 . . . . 0.0 109.384 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER -93.86 -40.37 10.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.845 . . . . 0.0 108.75 -179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' B' ' 747' ' ' TYR . 71.3 tttt -38.78 -28.82 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.386 0.613 . . . . 0.0 109.841 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 747' ' ' TYR . 1.7 tt0 -70.06 -75.37 0.12 Allowed 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 749' ' ' GLU . . . 164.93 -70.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' B' ' 752' ' ' SER . 3.2 t -174.54 51.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.375 -0.828 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 103.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.466 -0.772 . . . . 0.0 109.508 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.533 ' C ' ' H ' ' B' ' 755' ' ' THR . 57.0 m -77.42 -23.84 50.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.52 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.0 t80 -68.13 7.92 0.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.798 . . . . 0.0 109.737 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.533 ' H ' ' C ' ' B' ' 753' ' ' THR . 3.3 m -134.62 15.32 3.68 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.403 ' C ' HD21 ' B' ' 756' ' ' ASN . 0.2 OUTLIER -131.63 51.13 2.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.297 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.646 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 2.1 mp -79.69 54.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 757' ' ' ILE . 17.0 p 51.71 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.0 109.461 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -132.58 46.08 2.67 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.469 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -75.05 129.9 38.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -76.46 90.16 0.93 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.323 -1.104 . . . . 0.0 109.491 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.963 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -159.3 107.83 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -1.146 . . . . 0.0 109.4 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.9 mtt -78.26 -21.05 50.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.0 109.536 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.34 -167.11 36.78 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 6.2 m -162.29 -175.18 4.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -1.183 . . . . 0.0 109.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 960' ' ' GLU . 0.7 OUTLIER -77.09 6.37 6.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.324 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.31 25.45 1.01 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -49.24 141.07 8.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.908 . . . . 0.0 109.532 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.03 -46.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 48.09 68.45 3.51 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.214 -0.929 . . . . 0.0 109.899 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -50.99 105.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 123.102 2.535 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.5 mm -52.84 -23.16 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.258 -0.901 . . . . 0.0 109.763 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -51.2 67.29 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.65 -54.69 38.37 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.34 -42.03 86.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt -56.86 -50.53 72.16 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.441 ' O ' ' OG1' ' A' ' 981' ' ' THR . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . 0.443 ' CD2' ' C ' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.537 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -62.96 -37.32 86.63 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.571 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.1 tptt -71.41 -43.25 67.14 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.667 0.746 . . . . 0.0 109.56 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -4.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 O-C-N 121.338 -0.851 . . . . 0.0 108.77 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.571 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.52 -28.61 0.4 Allowed Glycine 0 N--CA 1.5 2.955 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.1 t80 -86.15 -17.48 34.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.283 -1.127 . . . . 0.0 110.073 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.38 -11.24 38.41 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.345 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -80.84 -41.68 22.82 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.682 ' C ' ' H ' ' A' ' 997' ' ' ARG . 47.4 mtp180 -89.49 -15.32 33.31 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.776 0.798 . . . . 0.0 111.466 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.448 ' O ' ' CD ' ' A' ' 998' ' ' PRO . 60.1 t30 -56.44 3.25 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 O-C-N 121.753 -0.592 . . . . 0.0 110.046 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.682 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.4 OUTLIER -29.49 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 1.2 Cg_endo -86.56 10.45 3.62 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 121.862 1.708 . . . . 0.0 115.393 176.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.4 Cg_endo -92.9 -152.84 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.259 0 CA-C-N 122.477 1.92 . . . . 0.0 110.994 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 67.6 5.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.964 -1.085 . . . . 0.0 108.254 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' 1003 ' ' ASP . 60.6 mt-10 -143.81 0.04 1.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.122 -0.986 . . . . 0.0 109.454 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.08 17.59 0.44 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.486 ' H ' ' C ' ' A' 1001 ' ' GLU . 1.4 t70 -158.37 145.79 18.0 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -157.68 70.76 0.59 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.132 -0.98 . . . . 0.0 109.405 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.46 152.85 20.67 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.338 -0.851 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' 1007 ' ' GLY . 41.1 mt-10 -79.75 -71.93 0.43 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.695 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1007 ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' 1006 ' ' GLU . . . -58.84 -156.6 0.02 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 67.8 tt0 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.394 -1.062 . . . . 0.0 109.386 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.731 2.652 . . . . 0.0 119.731 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -82.51 107.12 14.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -1.165 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 57.22 3.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 80.52 -174.47 54.92 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 9.1 t -159.82 179.34 8.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -124.63 -19.28 5.41 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.618 -0.676 . . . . 0.0 109.206 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.93 -69.98 1.27 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.81 -154.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.814 2.343 . . . . 0.0 112.281 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' B' ' 693' ' ' ILE . 0.6 OUTLIER -88.79 -87.69 0.16 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 122.132 0.968 . . . . 0.0 109.416 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.562 ' H ' ' CG ' ' B' ' 692' ' ' ASP . 0.9 OUTLIER 66.33 -43.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.22 -50.84 14.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.119 -0.988 . . . . 0.0 108.955 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.81 -53.72 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.224 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 4.3 m -56.7 -40.24 68.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.071 -1.018 . . . . 0.0 109.456 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.45 -47.73 69.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.03 -1.044 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.41 -47.0 76.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.303 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 699' ' ' SER . . . . . 0.679 ' HG ' ' H ' ' B' ' 700' ' ' VAL . 30.7 p -62.75 -52.47 63.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.161 -0.962 . . . . 0.0 110.179 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . 0.679 ' H ' ' HG ' ' B' ' 699' ' ' SER . 15.1 t -61.76 -31.51 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 109.18 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.536 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m -76.12 -44.8 36.87 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.32 -34.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.694 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -57.96 -34.11 69.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.943 -1.098 . . . . 0.0 108.29 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -87.44 -33.51 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.469 -0.77 . . . . 0.0 110.617 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -44.03 -34.45 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.083 -1.011 . . . . 0.0 109.91 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -59.17 3.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.092 -1.005 . . . . 0.0 109.04 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 2.6 tm-20 -63.55 -47.76 80.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.1 -39.72 43.49 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.03 -59.17 2.86 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.93 -25.37 3.2 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 121.27 -0.894 . . . . 0.0 109.223 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.3 t80 -70.26 -61.0 1.94 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.24 -24.21 67.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.52 -44.06 92.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.322 -0.861 . . . . 0.0 109.175 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.98 -43.53 78.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.443 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -62.66 -39.3 93.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.276 -0.89 . . . . 0.0 109.674 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.88 53.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -57.3 -44.87 84.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.213 -0.929 . . . . 0.0 109.858 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.99 -39.49 12.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.083 -1.011 . . . . 0.0 109.728 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.11 -65.52 0.67 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.926 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.431 ' C ' ' H ' ' B' ' 741' ' ' THR . 24.6 t-105 -51.27 -21.0 1.86 Allowed 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' B' ' 738' ' ' LYS . 24.4 t70 -79.22 17.01 0.85 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.609 0.718 . . . . 0.0 109.239 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.501 ' C ' ' H ' ' B' ' 743' ' ' ASN . 35.8 p -155.1 173.74 16.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 50.83 13.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 108.965 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' B' ' 741' ' ' THR . 7.6 m-80 -159.95 22.64 0.17 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -136.26 68.35 62.03 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.572 -0.705 . . . . 0.0 109.93 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -90.42 21.37 0.87 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.073 2.515 . . . . 0.0 112.407 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.1 pp -67.34 -37.17 82.83 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 109.214 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' B' ' 750' ' ' ALA . 2.1 t80 -56.25 -62.54 1.64 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -45.27 -40.22 7.31 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.322 0.582 . . . . 0.0 109.494 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.95 -36.26 74.5 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.366 -0.834 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 747' ' ' TYR . . . 59.22 36.97 23.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.351 -0.843 . . . . 0.0 109.357 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.431 ' O ' ' OG ' ' B' ' 752' ' ' SER . 3.9 p 50.19 29.34 3.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.276 -0.89 . . . . 0.0 109.374 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 751' ' ' THR . 15.7 p 56.21 107.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.533 ' C ' ' H ' ' B' ' 755' ' ' THR . 35.5 m -87.01 -23.28 25.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 67.9 t80 -65.98 6.52 0.37 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.372 -0.83 . . . . 0.0 110.074 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.533 ' H ' ' C ' ' B' ' 753' ' ' THR . 8.6 t -107.07 29.75 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.645 -0.659 . . . . 0.0 109.508 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -135.93 37.43 2.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.397 -0.815 . . . . 0.0 109.231 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 57.3 mt -91.76 96.94 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.406 -0.809 . . . . 0.0 109.553 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 71.7 p -55.85 130.91 45.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 0.0 109.461 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' B' ' 760' ' ' ARG . 91.9 t80 -73.81 121.61 21.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.267 -0.896 . . . . 0.0 109.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 74.2 mtt180 -78.99 -165.43 0.75 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.454 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.25 19.98 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.284 -1.127 . . . . 0.0 109.496 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.37 87.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -1.122 . . . . 0.0 109.494 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.53 -54.16 30.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -179.36 -150.45 9.02 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 5.5 m -160.92 -179.09 7.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -1.154 . . . . 0.0 109.413 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.02 4.19 7.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 963' ' ' ALA . 46.7 mt-10 -101.65 10.83 39.79 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -63.24 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 109.817 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -86.02 4.03 39.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 108.892 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.6 mt 46.76 66.48 5.53 Favored Pre-proline 0 N--CA 1.488 1.437 0 O-C-N 121.473 -0.767 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 51.2 Cg_exo -55.21 72.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.812 2.342 . . . . 0.0 112.155 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.633 ' H ' ' CD1' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.31 -28.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.102 -0.999 . . . . 0.0 110.709 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -50.84 59.34 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.24 -50.94 66.01 Favored 'General case' 0 C--N 1.283 -2.303 0 CA-C-N 114.647 -1.16 . . . . 0.0 108.168 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.76 -43.52 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tt -60.05 -51.7 68.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . 0.402 ' C ' ' CD1' ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.513 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.513 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -64.44 -38.3 90.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.552 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -75.66 -33.91 60.46 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.368 0.604 . . . . 0.0 110.232 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.452 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 2.8 t -56.24 -3.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 121.374 -0.829 . . . . 0.0 109.439 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.83 -29.38 0.08 OUTLIER Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -76.88 -17.61 58.85 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.576 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.58 -21.75 15.18 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.235 1.016 . . . . 0.0 109.026 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -84.77 -42.56 15.07 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.597 ' C ' ' H ' ' A' ' 997' ' ' ARG . 11.7 mtp-105 -82.92 -117.99 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.838 0.828 . . . . 0.0 110.496 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 997' ' ' ARG . 3.3 t30 50.85 4.09 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.804 -0.56 . . . . 0.0 110.637 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.597 ' H ' ' C ' ' A' ' 995' ' ' ARG . 4.0 mmt85 -33.71 97.9 0.12 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 122.112 -0.367 . . . . 0.0 111.587 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 48.4 Cg_endo -86.04 8.71 4.37 Favored 'Trans proline' 0 CA--C 1.565 2.028 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.3 Cg_endo -90.9 176.85 2.22 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 CA-C-N 122.442 1.908 . . . . 0.0 111.86 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.492 ' CD2' ' H ' ' A' 1000 ' ' LEU . 0.1 OUTLIER -77.24 98.48 5.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.122 -0.986 . . . . 0.0 108.645 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.94 55.84 1.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.446 -0.784 . . . . 0.0 109.411 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.75 47.7 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -156.05 101.06 2.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 109.703 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' 1004 ' ' ASP . 12.6 t70 -161.52 21.41 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.242 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -103.11 -138.59 0.35 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -82.2 -111.24 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.337 -0.852 . . . . 0.0 109.197 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.79 -173.59 33.82 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.27 -1.135 . . . . 0.0 109.609 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.001 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.48 85.47 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 0.0 109.519 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.93 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 0.0 109.531 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.43 53.3 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 14.6 t -160.14 -178.11 6.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -1.177 . . . . 0.0 109.578 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.44 ' N ' ' OG ' ' B' ' 688' ' ' SER . 66.9 mmtt -83.76 -2.69 56.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.38 0.55 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.07 -108.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.364 2.043 . . . . 0.0 111.846 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.605 ' C ' ' H ' ' B' ' 694' ' ' LEU . 4.1 t70 -172.8 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.252 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.1 mm 58.69 -26.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.952 -0.468 . . . . 0.0 110.868 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.605 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -73.04 -50.36 23.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.612 -1.305 . . . . 0.0 110.118 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.95 -53.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.974 -1.079 . . . . 0.0 109.698 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 11.0 m -59.88 -39.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.089 -1.007 . . . . 0.0 109.434 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.25 -49.73 66.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.095 -1.003 . . . . 0.0 108.943 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.68 -50.06 64.04 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 75.7 m -60.5 -51.36 69.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.173 -0.954 . . . . 0.0 109.15 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.9 -47.21 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.464 -0.772 . . . . 0.0 109.641 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.433 ' CD1' ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m -77.47 -23.78 50.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.4 HG23 HD13 ' B' ' 721' ' ' ILE . 45.0 mt -73.94 -22.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 110.468 -178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -56.49 -37.75 70.81 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.821 -1.174 . . . . 0.0 108.898 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -87.71 -30.93 19.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.352 -0.842 . . . . 0.0 111.153 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -46.32 -33.57 3.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.815 -1.178 . . . . 0.0 110.29 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -59.17 4.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.901 -1.125 . . . . 0.0 109.602 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 730' ' ' PHE . 44.2 tt0 -65.05 -46.24 82.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 108.402 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -50.58 -39.45 49.64 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.27 2.35 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -25.79 3.57 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.447 -0.783 . . . . 0.0 109.464 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.8 t80 -69.88 -60.33 2.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.152 -0.968 . . . . 0.0 109.296 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.12 -28.2 68.93 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.34 -47.26 82.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.124 -0.985 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.61 -47.46 86.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -56.59 -28.09 59.53 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.09 -61.26 1.83 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.143 -0.973 . . . . 0.0 109.85 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -72.74 -18.52 61.51 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.118 -0.989 . . . . 0.0 110.094 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.75 -38.23 15.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.028 -1.045 . . . . 0.0 108.653 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -56.59 5.26 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.814 0.816 . . . . 0.0 109.011 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.401 ' C ' ' H ' ' B' ' 741' ' ' THR . 2.3 t90 -51.81 -21.91 3.24 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -82.04 21.2 0.91 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.432 0.634 . . . . 0.0 109.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.401 ' H ' ' C ' ' B' ' 739' ' ' TRP . 1.7 m -154.47 -140.57 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.483 -0.761 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' B' ' 743' ' ' ASN . . . 53.23 96.68 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' B' ' 742' ' ' ALA . 1.8 m120 31.2 43.69 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.933 0.397 . . . . 0.0 111.403 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 743' ' ' ASN . 45.0 t30 -40.87 103.95 0.32 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.634 -0.666 . . . . 0.0 109.64 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -84.69 10.74 3.61 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.27 1.98 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.409 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.3 pp -94.32 -32.28 13.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.132 -0.98 . . . . 0.0 108.552 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -48.34 71.05 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -41.91 -34.64 0.71 Allowed 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.309 0.576 . . . . 0.0 109.981 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.41 -35.25 60.2 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.285 -0.884 . . . . 0.0 109.203 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.516 ' C ' ' H ' ' B' ' 752' ' ' SER . . . -70.58 -58.24 3.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.497 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 1.9 m -75.77 26.7 0.11 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.286 -0.884 . . . . 0.0 109.436 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.516 ' H ' ' C ' ' B' ' 750' ' ' ALA . 19.4 m -48.87 113.41 0.78 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.423 -0.798 . . . . 0.0 109.522 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.519 ' C ' ' H ' ' B' ' 755' ' ' THR . 92.6 m -81.59 -24.77 36.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 0.0 109.554 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 73.0 t80 -68.09 6.52 0.72 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.627 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.519 ' H ' ' C ' ' B' ' 753' ' ' THR . 90.6 m -80.35 -20.12 44.9 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.56 58.26 1.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.542 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 1.8 mp -43.82 137.95 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.492 -0.755 . . . . 0.0 109.973 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 2.1 p -146.82 132.91 19.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.228 -0.92 . . . . 0.0 109.01 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -76.64 78.39 3.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -56.7 114.94 2.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.626 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -82.75 80.46 1.81 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.359 -1.083 . . . . 0.0 109.419 179.915 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.98 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -50.84 -31.96 18.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -1.152 . . . . 0.0 109.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 48.5 mmm -63.89 85.96 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 62.82 178.27 3.95 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 961' ' ' GLU . 67.4 m -160.01 -171.63 3.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.32 3.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.165 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 959' ' ' SER . 45.8 mt-10 -111.27 11.87 21.71 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -46.25 128.57 9.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.0 109.71 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -137.05 -17.47 1.38 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.451 -0.781 . . . . 0.0 109.826 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.5 68.68 3.28 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.98 -1.075 . . . . 0.0 109.764 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.38 83.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 123.08 2.52 . . . . 0.0 112.423 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.8 mm -52.55 -21.6 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.0 109.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -52.85 59.28 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.68 -50.03 73.35 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 20.6 t -59.89 -43.24 91.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -57.55 -53.54 57.05 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.425 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . 0.446 ' O ' ' OG1' ' A' ' 981' ' ' THR . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.466 ' O ' ' HG3' ' A' ' 987' ' ' MET . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.642 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER -61.45 -35.77 78.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.1 mptt -74.6 -39.24 62.31 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.453 -0.779 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -5.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.168 -0.957 . . . . 0.0 108.54 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.68 -29.83 0.3 Allowed Glycine 0 N--CA 1.5 2.903 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 988' ' ' TRP . 65.9 t80 -84.34 -17.69 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.171 -1.193 . . . . 0.0 110.052 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.01 -12.87 27.71 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.252 1.025 . . . . 0.0 108.638 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -84.49 -43.73 14.3 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.828 0.823 . . . . 0.0 109.139 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.7 ' C ' ' H ' ' A' ' 997' ' ' ARG . 13.9 mtp-105 -82.74 -17.68 43.42 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.779 0.799 . . . . 0.0 111.447 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 997' ' ' ARG . 11.0 t-20 -64.05 20.34 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.576 0 O-C-N 121.805 -0.559 . . . . 0.0 109.792 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.7 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -23.14 88.15 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 13.6 Cg_exo -71.29 -5.27 16.65 Favored 'Trans proline' 0 CA--C 1.571 2.327 0 C-N-CA 122.391 2.061 . . . . 0.0 116.497 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 24.5 Cg_endo -94.33 -156.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.168 0 CA-C-N 122.818 2.042 . . . . 0.0 111.879 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' 1002 ' ' GLU . 5.6 tp -85.67 11.84 10.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.128 -0.982 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' 1003 ' ' ASP . 28.9 tt0 60.73 -59.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.025 0.441 . . . . 0.0 110.919 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' 1000 ' ' LEU . 47.5 mt-10 -44.42 98.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.13 -0.981 . . . . 0.0 110.352 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' 1005 ' ' GLU . 42.7 m-20 -80.3 142.49 34.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 108.898 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -72.86 34.86 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.174 -0.954 . . . . 0.0 110.226 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' 1003 ' ' ASP . 32.8 mt-10 -144.09 -113.26 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.054 -1.029 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -103.54 130.13 50.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.184 -0.947 . . . . 0.0 109.51 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -77.91 -67.51 1.62 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.335 -1.097 . . . . 0.0 109.342 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.703 2.641 . . . . 0.0 119.703 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 686' ' ' MET . . . -165.11 6.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -1.159 . . . . 0.0 109.475 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 686' ' ' MET . . . . . 0.437 ' O ' ' O ' ' B' ' 685' ' ' ALA . 12.8 ttt 57.66 160.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.666 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -83.35 -177.33 51.78 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 75.3 m -74.49 -161.97 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -120.89 -66.09 1.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.524 -0.735 . . . . 0.0 109.456 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -85.88 -55.69 2.48 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.466 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.7 Cg_exo -51.89 -129.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.118 2.545 . . . . 0.0 112.693 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.643 ' C ' ' H ' ' B' ' 694' ' ' LEU . 49.2 t0 -163.34 -26.38 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.163 -0.961 . . . . 0.0 110.193 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.82 -5.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 122.582 0.353 . . . . 0.0 111.923 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.643 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.55 -50.99 11.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.439 -1.413 . . . . 0.0 109.888 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.55 -53.8 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 111.529 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.75 -32.57 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.453 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.14 -45.01 71.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.353 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 63.1 mt -54.49 -43.78 72.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.111 -0.993 . . . . 0.0 109.061 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 3.7 t -61.59 -48.5 80.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 108.793 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.9 t -54.85 -53.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.493 -0.755 . . . . 0.0 109.25 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 972' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m -76.33 -51.48 11.85 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.401 HG23 HD11 ' B' ' 721' ' ' ILE . 66.6 mt -56.13 -23.11 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.904 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.62 -35.03 74.89 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.56 -28.9 21.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.607 -0.683 . . . . 0.0 110.261 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -45.15 -30.92 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.04 -1.038 . . . . 0.0 109.866 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . 0.531 ' C ' ' HZ2' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -70.77 -59.06 3.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.108 -0.995 . . . . 0.0 109.077 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 28.8 tt0 -63.56 -49.88 71.69 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.58 -37.15 48.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.82 -59.95 2.48 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . 0.531 ' HZ2' ' C ' ' B' ' 725' ' ' LYS . 1.2 mtmp? -50.38 -25.73 4.19 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.43 -0.794 . . . . 0.0 109.292 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.0 t80 -70.18 -60.32 2.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.594 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.56 -25.46 68.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.181 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.35 -47.1 87.44 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.322 -0.861 . . . . 0.0 109.123 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.09 -45.06 90.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.376 -0.827 . . . . 0.0 109.255 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -51.41 -42.7 61.64 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.886 . . . . 0.0 109.634 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.163 -0.961 . . . . 0.0 109.561 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -52.17 -35.02 47.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.208 -0.932 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.56 83.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.0 109.593 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.1 mmmt -60.25 -63.23 1.37 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 109.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -51.97 -21.08 2.74 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' B' ' 738' ' ' LYS . 34.8 t70 -100.67 26.08 7.17 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.414 0.626 . . . . 0.0 109.74 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 1.3 m -166.08 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.292 -0.88 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 57.54 74.45 0.42 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.528 -0.732 . . . . 0.0 109.572 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 12.0 t30 43.78 30.25 0.36 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.6 -0.687 . . . . 0.0 110.15 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.7 109.21 1.05 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.054 -1.029 . . . . 0.0 109.276 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -85.69 20.03 1.3 Allowed 'Trans proline' 0 N--CA 1.486 1.088 0 C-N-CA 122.11 1.874 . . . . 0.0 111.979 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.92 -37.49 9.02 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.677 0.751 . . . . 0.0 109.278 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -60.59 2.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -43.81 -31.63 0.88 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.589 . . . . 0.0 109.788 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.75 -38.04 63.98 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.274 -0.891 . . . . 0.0 109.143 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 751' ' ' THR . . . 55.72 53.07 9.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.436 ' O ' ' O ' ' B' ' 752' ' ' SER . 22.3 p 46.58 39.93 7.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 109.711 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.436 ' O ' ' O ' ' B' ' 751' ' ' THR . 1.8 m 61.51 138.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.419 -0.801 . . . . 0.0 109.681 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 753' ' ' THR . . . . . 0.53 ' C ' ' H ' ' B' ' 755' ' ' THR . 24.4 m -77.39 -24.67 50.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.5 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 51.9 t80 -68.88 8.02 0.59 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.808 . . . . 0.0 109.68 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.53 ' H ' ' C ' ' B' ' 753' ' ' THR . 49.1 m -103.35 -18.44 14.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.788 -0.57 . . . . 0.0 109.473 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -82.47 26.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.1 mm -92.03 41.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 109.705 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 29.8 m -163.18 5.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.07 -1.019 . . . . 0.0 109.498 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -99.0 -156.34 0.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.73 -165.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.0 109.358 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 179.9 -113.63 0.4 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.236 -1.155 . . . . 0.0 109.462 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.939 0 N-CA-C 119.795 2.678 . . . . 0.0 119.795 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.47 24.43 1.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -1.154 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 23.8 mmt -53.09 163.64 0.51 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -173.13 -72.28 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 961' ' ' GLU . 17.9 p -60.5 101.92 0.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 6.95 3.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 959' ' ' SER . 43.1 mt-10 -89.86 -11.13 42.86 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 961' ' ' GLU . 14.2 mtm105 41.77 80.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.572 -0.705 . . . . 0.0 110.03 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -155.62 -62.33 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 0.0 109.243 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.7 mt 47.58 68.5 3.44 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.76 83.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.924 0 C-N-CA 122.969 2.446 . . . . 0.0 111.992 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.6 mm -50.17 -24.95 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 110.082 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -50.73 62.98 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.82 -51.09 64.65 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.174 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.11 -43.6 97.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -60.94 -50.6 72.73 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 970' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.501 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -63.92 -37.51 87.66 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.548 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -65.18 -44.26 89.04 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 8.4 t -56.81 -2.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 C-N-CA 119.756 -0.777 . . . . 0.0 109.027 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.79 -27.3 0.38 Allowed Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 988' ' ' TRP . 35.4 t80 -86.49 -18.1 32.49 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.627 -0.925 . . . . 0.0 109.468 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.37 -10.45 25.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.501 1.143 . . . . 0.0 108.188 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -66.17 -33.33 75.52 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 122.628 1.204 . . . . 0.0 108.562 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.696 ' C ' ' H ' ' A' ' 997' ' ' ARG . 53.1 mtp85 -72.11 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.36 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 997' ' ' ARG . 13.0 t-20 -61.48 20.71 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.921 -0.487 . . . . 0.0 110.369 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.696 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt85 -22.51 91.9 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 72.0 Cg_endo -71.99 -9.59 24.85 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 18.8 Cg_endo -95.23 161.91 1.61 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 CA-C-N 122.311 1.861 . . . . 0.0 112.281 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.43 120.69 26.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.952 . . . . 0.0 108.595 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.3 172.97 12.13 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.372 -0.83 . . . . 0.0 109.637 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.18 172.36 0.61 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.291 -0.88 . . . . 0.0 109.552 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' 1006 ' ' GLU . 32.7 t70 -96.45 55.28 1.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.553 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1004 ' ' ASP . . . . . 0.552 ' CG ' ' H ' ' A' 1005 ' ' GLU . 21.1 t0 46.58 -145.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.186 -0.946 . . . . 0.0 109.871 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.552 ' H ' ' CG ' ' A' 1004 ' ' ASP . 14.9 mm-40 -48.45 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.35 -0.844 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1006 ' ' GLU . . . . . 0.557 ' CD ' ' H ' ' A' 1006 ' ' GLU . 24.7 mp0 -45.48 148.27 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -0.834 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 168.62 57.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1008 ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' 1008 ' ' GLU . 2.6 mp0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -1.167 . . . . 0.0 109.338 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.531 5.026 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' B' ' 687' ' ' GLY . . . 49.95 15.38 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.244 -1.151 . . . . 0.0 109.399 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 686' ' ' MET . . . . . 0.435 ' N ' ' C ' ' B' ' 684' ' ' GLY . 11.5 ttt -71.66 46.88 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.275 -0.891 . . . . 0.0 109.178 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' B' ' 685' ' ' ALA . . . -55.3 -170.06 0.07 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 1.8 t -154.99 174.67 14.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.157 -1.202 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.409 ' N ' ' OG ' ' B' ' 688' ' ' SER . 36.7 tptt -87.73 -36.34 17.41 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.271 -0.893 . . . . 0.0 110.079 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.81 -67.92 1.97 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' B' ' 690' ' ' GLY . 35.7 Cg_exo -57.5 -133.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.143 1.895 . . . . 0.0 111.37 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' B' ' 694' ' ' LEU . 4.4 t70 -164.61 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.299 -0.875 . . . . 0.0 109.111 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.3 mm 59.21 -49.17 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.02 0.438 . . . . 0.0 109.841 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.91 -47.27 68.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 110.512 -179.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.38 -54.66 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.801 -1.187 . . . . 0.0 109.811 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.5 -37.7 79.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 120.854 -1.153 . . . . 0.0 109.022 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.529 ' CD1' ' SD ' ' B' ' 701' ' ' MET . 0.2 OUTLIER -56.59 -47.1 80.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.132 -0.98 . . . . 0.0 108.836 179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 2.5 tt -52.94 -49.94 65.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.262 -0.899 . . . . 0.0 108.984 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 58.7 m -58.08 -45.94 86.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.205 -0.935 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t -55.11 -48.19 76.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.806 . . . . 0.0 110.317 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.529 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.432 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.432 ' CG2' ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m -57.0 -42.56 80.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.0 -24.34 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.42 -0.8 . . . . 0.0 110.215 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 108.049 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.17 -30.54 20.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.806 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.42 -33.96 2.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.147 -0.97 . . . . 0.0 109.816 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -58.47 5.7 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.148 -0.97 . . . . 0.0 108.906 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 46.8 tt0 -62.21 -47.29 85.1 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -72.39 -60.37 2.27 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -25.7 3.67 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.36 -0.837 . . . . 0.0 109.267 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 76.0 t80 -68.97 -60.19 2.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -0.921 . . . . 0.0 109.357 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.54 -25.0 66.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.227 -0.921 . . . . 0.0 109.398 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.23 -49.33 72.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -0.921 . . . . 0.0 109.228 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.27 -44.46 97.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.405 -0.81 . . . . 0.0 109.004 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -65.01 -31.18 72.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.8 -50.35 36.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.523 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -65.29 -33.55 76.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.252 -0.905 . . . . 0.0 109.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . 0.423 ' O ' ' OG1' ' B' ' 741' ' ' THR . . . -50.25 -40.52 48.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' B' ' 741' ' ' THR . 10.3 mmtt -62.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.42 -0.8 . . . . 0.0 109.79 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -51.64 -20.57 2.09 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 40.8 t0 -99.56 20.98 12.93 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.555 0.693 . . . . 0.0 109.456 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.516 ' O ' ' N ' ' B' ' 743' ' ' ASN . 0.2 OUTLIER -169.87 -162.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 47.56 14.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.059 -1.025 . . . . 0.0 109.364 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.522 ' O ' ' C ' ' B' ' 744' ' ' ASN . 1.3 t-20 -162.32 24.29 0.11 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' B' ' 743' ' ' ASN . 13.9 t-20 -13.7 82.05 0.03 OUTLIER Pre-proline 0 N--CA 1.509 2.512 0 C-N-CA 123.073 0.549 . . . . 0.0 112.014 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' B' ' 743' ' ' ASN . 63.7 Cg_endo -90.7 15.87 1.74 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.945 2.43 . . . . 0.0 112.541 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 2.1 pp -87.37 -39.09 15.61 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -53.3 6.87 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -43.28 -29.22 0.39 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.811 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.41 -52.28 64.09 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.186 -0.946 . . . . 0.0 109.068 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 46.7 34.62 2.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 109.82 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 5.4 p 53.33 53.24 12.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.213 -0.93 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 7.0 t 57.99 90.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 60.9 m -47.87 -25.34 1.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.501 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' B' ' 755' ' ' THR . 0.6 OUTLIER -76.05 170.9 15.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' B' ' 755' ' ' THR . 18.5 m 42.55 40.76 2.06 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.009 0.909 . . . . 0.0 109.652 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.09 33.14 2.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.106 -0.996 . . . . 0.0 109.165 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 62.1 mt -90.01 79.73 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.419 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.49 ' O ' ' N ' ' B' ' 760' ' ' ARG . 30.9 p -82.91 -150.71 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.393 -0.817 . . . . 0.0 109.433 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 71.9 t80 -68.02 48.84 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.89 . . . . 0.0 109.499 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 758' ' ' THR . 28.0 mtp180 -101.02 -169.96 1.77 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' B' ' 762' ' ' THR . . . -55.81 101.04 0.11 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 761' ' ' GLY . 22.3 p . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.274 -1.133 . . . . 0.0 109.501 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.95 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -163.65 37.81 0.09 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.493 ' C ' ' H ' ' A' ' 959' ' ' SER . 34.0 mtt -50.16 165.5 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 0.0 109.282 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 77.55 -25.61 2.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.493 ' H ' ' C ' ' A' ' 957' ' ' MET . 1.4 m 64.9 143.47 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.544 -0.974 . . . . 0.0 109.395 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 14.0 mp0 -141.99 11.37 2.0 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -76.13 -76.62 0.15 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -165.7 58.07 0.11 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.351 -0.843 . . . . 0.0 109.937 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.08 -87.22 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.966 -1.084 . . . . 0.0 109.509 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.2 mt 44.49 66.97 4.42 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.402 -0.811 . . . . 0.0 110.084 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.14 88.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.97 2.447 . . . . 0.0 112.635 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.8 mm -62.0 -25.44 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.06 . . . . 0.0 109.858 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -50.79 -53.63 30.29 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.673 1.225 . . . . 0.0 107.773 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -56.1 -48.35 76.31 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.216 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.49 -43.05 97.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp -58.14 -49.64 76.28 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 980' ' ' LEU . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 976' ' ' GLY . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.42 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -63.83 -36.31 83.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.7 tptt -71.78 -35.55 70.06 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.906 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -7.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.096 -1.002 . . . . 0.0 108.9 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -128.22 -30.04 0.75 Allowed Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -86.49 -17.17 34.85 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.204 -1.174 . . . . 0.0 110.232 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -14.17 30.28 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 122.25 1.024 . . . . 0.0 108.351 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -62.63 -40.0 95.61 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -100.53 109.0 21.08 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.75 55.99 1.87 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.454 ' C ' ' HD2' ' A' ' 999' ' ' PRO . 2.2 mmt-85 -99.38 91.02 1.31 Allowed Pre-proline 0 N--CA 1.486 1.369 0 O-C-N 121.665 -0.647 . . . . 0.0 112.094 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.0 Cg_endo -76.33 -2.56 12.77 Favored 'Trans proline' 0 CA--C 1.569 2.246 0 C-N-CA 121.783 1.655 . . . . 0.0 116.282 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.5 Cg_endo -92.28 172.32 2.42 Favored 'Trans proline' 0 N--CA 1.489 1.206 0 CA-C-N 122.508 1.932 . . . . 0.0 111.43 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.87 80.24 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.928 -1.108 . . . . 0.0 108.683 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' 1002 ' ' GLU . 2.4 tm-20 -85.61 106.62 17.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.394 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1002 ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' A' 1001 ' ' GLU . 74.9 mt-10 -80.14 -156.79 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.128 -0.983 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.57 161.5 11.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 0.0 109.595 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.04 149.24 39.27 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.293 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.521 ' C ' ' H ' ' A' 1007 ' ' GLY . 40.7 mp0 -76.33 -28.82 57.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 109.649 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.25 17.39 0.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.234 -0.916 . . . . 0.0 109.576 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1007 ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' 1005 ' ' GLU . . . -49.76 -56.8 10.73 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.275 -1.132 . . . . 0.0 109.579 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.007 0 N-CA-C 119.8 2.68 . . . . 0.0 119.8 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -163.19 152.96 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -1.13 . . . . 0.0 109.404 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 32.4 mtt -80.34 53.29 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.577 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -79.48 -134.12 1.06 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 2.4 m -150.66 125.32 9.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.24 -1.153 . . . . 0.0 109.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -88.72 -11.65 44.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.262 -0.899 . . . . 0.0 109.813 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -76.98 -78.69 0.72 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.81 -154.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.761 2.307 . . . . 0.0 112.178 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.612 ' C ' ' H ' ' B' ' 694' ' ' LEU . 37.5 t0 -111.26 -19.21 12.74 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.15 1.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-O 121.075 0.464 . . . . 0.0 111.128 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.612 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.16 -52.32 9.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.845 -1.159 . . . . 0.0 109.446 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.7 t -56.21 -53.84 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.861 . . . . 0.0 110.495 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 23.8 m -54.63 -34.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.991 -1.068 . . . . 0.0 109.187 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.96 -53.49 57.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.353 -0.842 . . . . 0.0 108.91 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.76 -32.35 42.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.234 -0.916 . . . . 0.0 109.557 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 8.7 t -63.17 -52.2 63.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.109 -0.994 . . . . 0.0 109.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t -62.28 -31.5 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.06 -1.025 . . . . 0.0 108.972 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m -75.91 -35.71 59.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . 0.408 HD12 HG22 ' B' ' 721' ' ' ILE . 71.3 mt -73.14 -43.53 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 0.0 110.13 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -49.96 -29.31 8.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.871 -1.143 . . . . 0.0 108.342 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.07 -30.5 19.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.668 -0.645 . . . . 0.0 110.42 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -47.04 -32.65 4.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.857 -1.152 . . . . 0.0 109.611 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -59.2 3.51 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.028 -1.045 . . . . 0.0 108.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 730' ' ' PHE . 11.4 tm-20 -62.29 -49.65 74.82 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . 0.45 ' N ' ' OE1' ' B' ' 726' ' ' GLU . 54.2 t80 -49.81 -38.91 36.62 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.08 -61.28 1.91 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -28.14 3.51 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.353 -0.842 . . . . 0.0 109.363 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' B' ' 726' ' ' GLU . 31.0 t80 -72.36 -60.44 2.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.178 -0.951 . . . . 0.0 109.313 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.39 -23.56 67.46 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.691 -0.631 . . . . 0.0 109.606 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.16 -51.85 41.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 109.411 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.94 -38.01 81.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.568 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -62.35 -36.49 82.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.09 -39.73 29.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.59 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.97 -40.98 86.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.904 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -53.41 -41.84 66.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.407 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -66.06 -60.32 2.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 109.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -51.08 -21.01 1.64 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.4 t70 -83.94 21.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.568 0.699 . . . . 0.0 109.344 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' B' ' 742' ' ' ALA . 67.3 p -147.65 -136.5 0.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.473 -0.767 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' B' ' 741' ' ' THR . . . 75.02 52.71 0.08 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' B' ' 744' ' ' ASN . 9.3 m-80 38.94 36.81 0.17 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.984 -0.448 . . . . 0.0 110.447 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' B' ' 743' ' ' ASN . 58.1 t30 -38.61 100.7 0.21 Allowed Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.828 -0.545 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -90.49 11.67 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 122.165 1.91 . . . . 0.0 113.757 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.406 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.4 pp -92.89 -38.32 11.78 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 108.438 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -47.15 9.5 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -42.98 -35.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.39 0.614 . . . . 0.0 109.726 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.48 -69.58 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 170.98 -73.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.413 ' O ' ' OG1' ' B' ' 751' ' ' THR . 0.6 OUTLIER -178.89 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 109.149 179.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.8 m 176.64 141.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.486 -0.759 . . . . 0.0 108.976 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 12.8 m -83.74 -31.05 26.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.188 -0.945 . . . . 0.0 109.472 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' B' ' 756' ' ' ASN . 15.9 t80 -94.32 -129.7 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.0 109.34 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.532 ' C ' ' H ' ' B' ' 757' ' ' ILE . 0.4 OUTLIER 64.87 0.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.64 -0.662 . . . . 0.0 109.422 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 756' ' ' ASN . 1.3 t30 -77.05 30.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 108.664 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' B' ' 755' ' ' THR . 19.4 mm -42.78 -78.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-O 121.567 0.698 . . . . 0.0 110.415 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 757' ' ' ILE . 31.1 p 50.83 178.96 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -91.44 85.99 5.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 109.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -79.21 -155.95 0.1 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -69.32 151.24 50.84 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.269 -1.136 . . . . 0.0 109.369 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 957' ' ' MET . . . -160.43 -64.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -1.161 . . . . 0.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 956' ' ' ALA . 14.5 mmt 54.47 174.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.69 158.28 8.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 56.2 p -68.18 166.43 16.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -1.119 . . . . 0.0 109.438 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.25 6.29 17.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 109.234 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 963' ' ' ALA . 41.8 mt-10 -98.79 29.8 3.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -54.4 85.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.413 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.46 -14.05 47.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 109.492 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 13.2 mt 47.15 68.27 3.66 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.24 128.59 17.48 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.136 2.557 . . . . 0.0 112.358 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.1 mt -85.41 -24.96 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.404 -0.81 . . . . 0.0 109.952 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -50.93 60.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -54.8 -53.79 50.67 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.549 -1.205 . . . . 0.0 107.969 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.84 -42.07 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt -59.88 -51.53 69.31 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 970' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 980' ' ' LEU . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 976' ' ' GLY . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.497 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.534 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.93 -39.42 94.13 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.574 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.7 tptt -66.61 -40.88 89.04 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.737 0.779 . . . . 0.0 109.191 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 10.4 t -56.43 -1.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.068 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.3 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.574 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -143.52 -28.21 0.13 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 988' ' ' TRP . 44.5 t80 -82.67 -13.75 55.86 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.5 -1.0 . . . . 0.0 109.523 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.69 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 122.462 1.125 . . . . 0.0 108.549 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -74.23 -44.91 51.25 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.481 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.576 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.96 -126.25 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.671 0.748 . . . . 0.0 110.141 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.511 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 2.4 t-20 49.88 8.15 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.636 -0.665 . . . . 0.0 110.131 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.1 mmt180 -35.38 99.3 0.17 Allowed Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 122.147 -0.345 . . . . 0.0 111.485 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 40.9 Cg_endo -93.47 18.14 0.98 Allowed 'Trans proline' 0 CA--C 1.561 1.843 0 C-N-CA 121.748 1.632 . . . . 0.0 115.687 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.3 Cg_endo -87.54 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.414 0 CA-C-N 121.856 1.699 . . . . 0.0 111.496 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 7.6 tp -108.71 39.09 2.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.303 -0.873 . . . . 0.0 108.713 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' ASP . 40.6 mm-40 -87.72 -17.74 31.03 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -0.907 . . . . 0.0 109.708 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -47.37 95.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.807 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' 1001 ' ' GLU . 44.5 m-20 -79.94 147.86 31.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.414 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.65 -149.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1005 ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' 1005 ' ' GLU . 15.6 mp0 -48.78 -39.35 24.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.351 -0.843 . . . . 0.0 109.744 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -50.78 -22.98 2.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.03 -71.23 1.3 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.425 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -160.95 -104.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -1.158 . . . . 0.0 109.433 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.1 ptm -165.64 -22.69 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 162.59 153.72 7.29 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 688' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 31.1 t -92.16 -161.71 0.85 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.342 -1.093 . . . . 0.0 109.396 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . 0.494 ' N ' ' OG ' ' B' ' 688' ' ' SER . 6.3 tmtt? -138.16 -61.1 0.61 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.371 -0.831 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.11 -72.78 0.57 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . 0.403 ' HB2' ' H ' ' B' ' 692' ' ' ASP . 52.6 Cg_endo -68.43 -152.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.825 2.35 . . . . 0.0 111.932 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' B' ' 694' ' ' LEU . 54.9 t0 -138.79 -24.32 0.92 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.673 -0.642 . . . . 0.0 109.826 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 65.05 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.622 -0.674 . . . . 0.0 109.716 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 692' ' ' ASP . 23.0 tp -55.79 -48.55 75.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.022 -1.048 . . . . 0.0 110.652 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.02 -54.69 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.976 -1.078 . . . . 0.0 110.691 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 6.4 m -64.39 -38.16 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 120.886 -1.134 . . . . 0.0 109.264 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 44.8 tp -52.8 -48.62 66.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 108.466 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.44 -52.84 58.14 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.5 t -56.77 -48.71 77.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.74 -49.39 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.381 -0.824 . . . . 0.0 109.3 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . 0.404 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.534 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 720' ' ' THR . . . . . 0.408 ' CG2' ' NH2' ' B' ' 724' ' ' ARG . 39.1 m -64.45 -23.96 67.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.17 -41.06 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -53.72 -25.57 19.09 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 -34.63 18.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.644 -0.66 . . . . 0.0 110.393 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . 0.408 ' NH2' ' CG2' ' B' ' 720' ' ' THR . 50.3 mmt-85 -46.49 -35.17 5.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 109.141 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -57.68 7.63 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 730' ' ' PHE . 1.6 tm-20 -60.69 -49.09 78.9 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -51.24 -41.78 60.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.47 -59.56 2.9 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -19.4 1.42 Allowed 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 109.116 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.4 t80 -71.83 -60.65 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 108.69 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.4 -26.48 66.72 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.68 -41.78 87.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.212 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.83 -42.69 94.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.0 109.46 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.58 -38.92 72.65 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.165 -0.959 . . . . 0.0 109.107 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -69.4 -41.5 76.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.11 -31.07 51.09 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.05 10.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.2 mmmt -65.9 -66.04 0.6 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.014 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.442 ' C ' ' H ' ' B' ' 741' ' ' THR . 2.2 t90 -51.5 -21.49 2.47 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' B' ' 741' ' ' THR . 27.5 t70 -84.17 25.51 0.84 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' B' ' 740' ' ' ASP . 0.2 OUTLIER 84.98 170.01 0.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' B' ' 741' ' ' THR . . . 156.85 -96.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' B' ' 744' ' ' ASN . 63.8 m-20 -106.42 12.39 29.76 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.472 ' OD1' ' CD2' ' B' ' 746' ' ' LEU . 57.2 t30 -39.39 100.66 0.22 Allowed Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 122.157 -0.339 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.85 11.04 2.19 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 C-N-CA 122.15 1.9 . . . . 0.0 113.191 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.1 pp -96.58 -37.99 10.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 108.956 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -84.35 -41.21 16.99 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.2 tttp -41.46 -35.04 0.62 Allowed 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.405 0.622 . . . . 0.0 109.591 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.39 -73.95 0.23 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -176.39 -83.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.433 ' O ' ' OG ' ' B' ' 752' ' ' SER . 0.6 OUTLIER -175.46 -29.47 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.901 0.858 . . . . 0.0 109.211 179.186 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 752' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 751' ' ' THR . 3.9 m -179.4 -165.98 0.08 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 80.5 m -123.36 -88.01 0.62 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.421 -0.799 . . . . 0.0 109.173 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.426 ' O ' ' OG1' ' B' ' 755' ' ' THR . 0.1 OUTLIER -94.4 131.86 39.64 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 755' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' B' ' 755' ' ' THR . 77.7 m -167.29 19.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.81 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 758' ' ' THR . 8.7 t-20 -137.39 55.99 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.631 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.4 mm -62.75 74.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 109.33 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 760' ' ' ARG . 10.8 p -146.23 -172.16 3.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.154 -0.966 . . . . 0.0 109.532 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' B' ' 760' ' ' ARG . 30.9 t80 34.71 -88.29 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.468 0.651 . . . . 0.0 111.277 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 758' ' ' THR . 51.9 mtt180 -34.36 100.63 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 CA-C-O 121.326 0.584 . . . . 0.0 110.734 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -62.49 -68.04 1.83 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 761' ' ' GLY . 17.9 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.313 -1.11 . . . . 0.0 109.407 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.77 2.668 . . . . 0.0 119.77 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -78.43 -26.17 46.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -1.135 . . . . 0.0 109.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 47.1 ttp -75.32 -74.57 0.2 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.424 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -161.61 155.83 27.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 961' ' ' GLU . 6.3 m -165.24 -161.04 0.51 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -1.128 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -69.25 6.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 959' ' ' SER . 37.2 mt-10 -88.48 6.3 38.35 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.72 -0.613 . . . . 0.0 109.447 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -68.71 113.32 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -172.26 -56.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.893 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.9 mt 46.71 66.81 5.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.381 -0.825 . . . . 0.0 110.155 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.89 135.5 35.93 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.79 2.327 . . . . 0.0 111.569 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 2.0 mt -80.86 -27.55 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 110.463 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.64 -51.46 65.36 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 122.77 1.272 . . . . 0.0 107.682 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -44.97 79.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.488 -1.233 . . . . 0.0 107.96 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.52 -44.72 90.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp -52.07 -49.92 62.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' VAL . . . . . . . . . . . . . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' MET . . . . . 0.489 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' TRP . . . . . 0.524 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -38.18 88.06 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' LYS . . . . . 0.545 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.5 tptt -69.62 -37.43 76.84 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.673 0.749 . . . . 0.0 109.156 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 5.5 t -56.78 -2.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 O-C-N 121.618 -0.676 . . . . 0.0 109.203 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' GLY . . . . . 0.545 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.4 -29.19 0.08 OUTLIER Glycine 0 N--CA 1.5 2.901 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' PHE . . . . . 0.492 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 87.0 t80 -79.4 -16.06 56.83 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.471 -1.017 . . . . 0.0 109.694 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -21.95 18.37 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 122.21 1.005 . . . . 0.0 109.359 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' LYS . . . . . 0.686 ' N ' ' HZ2' ' A' ' 994' ' ' LYS . 0.0 OUTLIER -73.02 -44.13 61.26 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-O 121.875 0.845 . . . . 0.0 109.204 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.641 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.9 -48.18 11.84 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.313 -0.867 . . . . 0.0 111.504 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 997' ' ' ARG . 40.6 t30 -61.2 6.19 0.05 Allowed 'General case' 0 C--N 1.282 -2.357 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.627 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' ARG . . . . . 0.641 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.3 OUTLIER -34.15 98.74 0.15 Allowed Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 93.5 Cg_endo -74.18 -9.13 21.7 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 116.656 1.752 . . . . 0.0 116.656 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 47.9 Cg_endo -89.91 -156.74 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 CA-C-N 122.414 1.898 . . . . 0.0 112.174 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1000 ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' 1000 ' ' LEU . 1.6 tt -82.67 105.66 13.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.255 -0.903 . . . . 0.0 109.255 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1001 ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' 1003 ' ' ASP . 10.1 mm-40 -142.66 4.32 1.52 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.288 -0.883 . . . . 0.0 108.79 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.71 35.39 0.1 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.324 -0.86 . . . . 0.0 109.476 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1003 ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' 1001 ' ' GLU . 46.3 t0 -111.77 115.56 29.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.607 -0.683 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -63.1 89.88 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.239 -0.913 . . . . 0.0 109.501 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -74.2 0.17 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.9 . . . . 0.0 108.864 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -70.12 72.42 0.43 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 169.47 -128.33 1.65 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.263 -1.139 . . . . 0.0 109.519 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.799 2.68 . . . . 0.0 119.799 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -79.76 155.13 28.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -1.157 . . . . 0.0 109.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 45.8 mtt -74.09 -13.43 60.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.413 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 169.72 -143.93 8.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 39.0 m -150.77 165.5 33.31 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.198 -1.177 . . . . 0.0 109.417 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -80.31 -37.66 32.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.221 -0.925 . . . . 0.0 109.667 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -51.49 -78.41 0.1 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.06 -152.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.638 2.225 . . . . 0.0 111.785 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 692' ' ' ASP . . . . . 0.61 ' C ' ' H ' ' B' ' 694' ' ' LEU . 66.8 t0 -145.81 -29.2 0.42 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 109.549 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 63.4 -22.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.569 -0.707 . . . . 0.0 110.108 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' H ' ' C ' ' B' ' 692' ' ' ASP . 27.2 tp -62.0 -43.53 98.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.62 -1.3 . . . . 0.0 110.317 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 62.1 t -60.77 -54.32 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.984 -1.072 . . . . 0.0 110.362 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 3.4 m -67.1 -38.35 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.925 -1.109 . . . . 0.0 109.395 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.453 ' O ' ' SD ' ' B' ' 701' ' ' MET . 25.3 tp -52.43 -50.34 62.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.863 -1.148 . . . . 0.0 108.727 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.46 -50.94 64.23 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.217 -0.927 . . . . 0.0 108.856 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 39.1 p -59.24 -49.04 79.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 109.161 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.9 t -53.93 -50.94 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.413 -0.804 . . . . 0.0 109.691 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 705' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 714' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 715' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 719' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m -71.97 -29.16 63.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.6 -43.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.935 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -51.7 -26.91 10.24 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.792 -1.192 . . . . 0.0 108.068 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.78 -35.95 17.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.552 -0.718 . . . . 0.0 110.155 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -46.24 -32.53 3.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.981 -1.074 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -58.99 3.36 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.251 -0.906 . . . . 0.0 109.197 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 726' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 730' ' ' PHE . 69.9 tt0 -62.43 -48.3 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -50.21 -41.26 49.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.25 -61.63 1.7 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -20.56 1.04 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.415 -0.803 . . . . 0.0 109.397 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 730' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' B' ' 726' ' ' GLU . 54.0 t80 -73.15 -60.08 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.75 -23.81 66.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.263 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.98 -43.43 71.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.518 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.51 -39.41 93.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -67.22 -30.02 69.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.237 -0.915 . . . . 0.0 109.747 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -83.43 -39.93 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.277 -0.889 . . . . 0.0 109.631 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.02 -35.5 74.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -54.1 -34.6 60.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.381 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 738' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.3 mmmt -67.96 -64.62 0.82 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.257 -0.902 . . . . 0.0 110.146 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 739' ' ' TRP . . . . . 0.406 ' C ' ' H ' ' B' ' 741' ' ' THR . 10.3 t90 -51.21 -20.47 1.59 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 740' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.8 t70 -77.89 9.75 3.34 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 741' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' B' ' 742' ' ' ALA . 1.8 t 177.63 -136.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 742' ' ' ALA . . . . . 0.561 ' N ' ' OG1' ' B' ' 741' ' ' THR . . . 55.14 -134.16 1.55 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.23 30.23 0.05 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.392 -0.817 . . . . 0.0 109.763 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 744' ' ' ASN . . . . . 0.531 ' H ' ' C ' ' B' ' 742' ' ' ALA . 5.0 t-20 -51.2 111.93 2.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.993 . . . . 0.0 108.736 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.32 0.74 9.77 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.811 1.674 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.73 -17.21 30.37 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 747' ' ' TYR . . . . . 0.46 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 0.3 OUTLIER -84.66 -50.12 7.92 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.4 tttp -41.35 -35.62 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.335 0.588 . . . . 0.0 109.906 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.48 -55.95 25.55 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 750' ' ' ALA . . . . . 0.443 ' O ' ' OG1' ' B' ' 751' ' ' THR . . . 46.67 30.06 1.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.467 -0.771 . . . . 0.0 109.866 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 751' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 750' ' ' ALA . 23.2 p 51.73 61.69 3.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 108.971 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 9.3 m -43.12 146.07 0.46 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.039 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.2 m -56.79 -26.89 58.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.0 109.822 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 754' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 39.3 t80 -76.94 5.79 7.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 109.462 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 37.2 m -93.93 -10.1 34.91 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 756' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' B' ' 758' ' ' THR . 11.0 t-20 -125.44 50.41 1.81 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 757' ' ' ILE . . . . . 0.554 ' H ' ' CD1' ' B' ' 757' ' ' ILE . 1.6 mp -43.7 98.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.986 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 758' ' ' THR . . . . . 0.42 ' N ' ' O ' ' B' ' 756' ' ' ASN . 26.2 m -160.63 5.02 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 109.058 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -136.89 33.32 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 760' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' B' ' 761' ' ' GLY . 69.1 mtp180 -54.87 138.27 43.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.378 -0.826 . . . . 0.0 109.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 761' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' B' ' 762' ' ' THR . . . -63.18 -128.21 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 762' ' ' THR . . . . . 0.423 ' OXT' ' O ' ' B' ' 761' ' ' GLY . 24.0 m . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.171 . . . . 0.0 109.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.784 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.537 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 977' ' ' LEU . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.54 ' HE1' HD12 ' B' ' 712' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' B' ' 719' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.171 0.51 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.784 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.54 HD12 ' HE1' ' A' ' 987' ' ' MET . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 713' ' ' LEU . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 970' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.422 HD22 HG22 ' B' ' 704' ' ' ILE . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.531 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.56 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.468 ' SD ' HD12 ' B' ' 704' ' ' ILE . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.468 HD12 ' SD ' ' B' ' 701' ' ' MET . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 984' ' ' VAL . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 979' ' ' LEU . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.728 HG13 ' CG ' ' B' ' 715' ' ' TRP . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.918 ' SD ' HD11 ' B' ' 719' ' ' ILE . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.267 0.556 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.728 ' CG ' HG13 ' A' ' 984' ' ' VAL . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.711 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.918 HD11 ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 983' ' ' LEU . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 979' ' ' LEU . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.602 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.442 ' CD1' HG13 ' A' ' 984' ' ' VAL . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.421 ' N ' HD12 ' B' ' 717' ' ' LEU . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.602 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 974' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 983' ' ' LEU . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.459 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.569 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.25 0.548 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.459 ' NE1' HG13 ' A' ' 984' ' ' VAL . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.569 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.46 0.648 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' HG13 ' A' ' 984' ' ' VAL . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 717' ' ' LEU . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 974' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.432 HD11 HD13 ' A' ' 983' ' ' LEU . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 979' ' ' LEU . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.523 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.26 0.553 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 984' ' ' VAL . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.3 tt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.802 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 974' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.539 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.606 HD22 HG22 ' B' ' 704' ' ' ILE . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 980' ' ' LEU . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.802 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 711' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 980' ' ' LEU . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.58 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.718 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.735 HD22 HG22 ' B' ' 704' ' ' ILE . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.438 ' HG ' HD23 ' B' ' 712' ' ' LEU . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.542 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 979' ' ' LEU . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.465 ' O ' HD13 ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 984' ' ' VAL . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.405 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.535 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.665 HD22 HG22 ' B' ' 704' ' ' ILE . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' B' ' 712' ' ' LEU . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.429 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.567 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.568 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.665 HG22 HD22 ' A' ' 979' ' ' LEU . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.502 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.452 HD12 ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.429 ' NE1' HG13 ' A' ' 984' ' ' VAL . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.436 ' N ' HD12 ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.568 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.666 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.755 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 977' ' ' LEU . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.738 HD22 HG22 ' B' ' 704' ' ' ILE . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.755 HG23 ' HA2' ' A' ' 976' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.556 HD23 ' C ' ' B' ' 712' ' ' LEU . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.827 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 974' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 711' ' ' ALA . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 981' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.857 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.009 0.433 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 711' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 980' ' ' LEU . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.46 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.46 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.857 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 978' ' ' LEU . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.735 HG13 ' CD1' ' B' ' 715' ' ' TRP . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.459 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.735 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 718' ' ' LEU . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.837 HD11 ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.741 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.477 HD13 HG22 ' B' ' 704' ' ' ILE . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.47 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 985' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 985' ' ' LEU . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.573 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.741 HG23 ' HA2' ' A' ' 976' ' ' GLY . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.463 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.458 ' N ' HD12 ' B' ' 717' ' ' LEU . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 970' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 977' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 978' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.413 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.747 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.316 0.579 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.438 HG23 ' HA2' ' A' ' 976' ' ' GLY . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' B' ' 700' ' ' VAL . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.608 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.621 HD11 HG23 ' A' ' 984' ' ' VAL . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 980' ' ' LEU . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.702 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 700' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 972' ' ' GLY . 1.9 t . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.608 HG23 ' HA2' ' A' ' 976' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 711' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 980' ' ' LEU . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.499 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.414 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.522 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.956 0.408 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.714 HG23 ' HA2' ' A' ' 976' ' ' GLY . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.467 ' CH2' HD22 ' B' ' 718' ' ' LEU . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.467 HD22 ' CH2' ' B' ' 715' ' ' TRP . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp . . . . . 0 C--O 1.208 -1.103 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.422 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.749 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.803 HD22 HG22 ' B' ' 704' ' ' ILE . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.427 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.803 HG22 HD22 ' A' ' 979' ' ' LEU . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.471 ' NE1' HG13 ' A' ' 984' ' ' VAL . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.718 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 976' ' ' GLY . . . . . 0.599 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 704' ' ' ILE . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.463 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 985' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 704' ' ' ILE . . . . . 0.718 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 713' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.463 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 970' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 980' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 980' ' ' LEU . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 984' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 987' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 988' ' ' TRP . . . . . 0.639 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.43 0.633 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 705' ' ' LEU . . . . . 0.488 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 709' ' ' LEU . . . . . 0.414 HD23 HD23 ' B' ' 705' ' ' LEU . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 714' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 715' ' ' TRP . . . . . 0.436 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 717' ' ' LEU . . . . . 0.436 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 718' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 719' ' ' ILE . . . . . 0.639 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.0 0 N-CA-C 119.719 2.648 . . . . 0.0 119.719 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -168.5 -122.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.14 . . . . 0.0 109.441 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 28.6 ttm -50.35 111.58 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 168.54 -45.98 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 958' ' ' GLY . 52.6 p 50.19 94.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.214 -1.168 . . . . 0.0 109.442 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.58 6.29 3.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 963' ' ' ALA . 62.7 mt-10 -97.63 33.66 2.01 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.414 HH11 ' HB2' ' A' ' 962' ' ' ARG . 23.0 ttp-105 -49.28 92.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -164.13 -33.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.338 -0.851 . . . . 0.0 109.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 47.94 67.16 4.76 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.324 -0.86 . . . . 0.0 110.016 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -50.66 107.14 0.15 Allowed 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.875 2.384 . . . . 0.0 111.702 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.27 -28.29 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 0.0 110.353 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -51.39 51.83 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.733 1.254 . . . . 0.0 107.714 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -47.38 74.53 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.063 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.72 -44.88 93.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.784 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.537 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 977' ' ' LEU . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.54 ' HE1' HD12 ' B' ' 712' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' B' ' 719' ' ' ILE . 0.2 OUTLIER -56.67 -38.27 71.98 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 tptt -68.98 -41.72 77.5 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.809 0.814 . . . . 0.0 109.315 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 990' ' ' VAL . 18.1 t -56.24 -1.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 O-C-N 121.476 -0.765 . . . . 0.0 109.36 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.32 -27.64 0.21 Allowed Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.403 ' O ' ' CD2' ' A' ' 992' ' ' PHE . 53.6 t80 -85.45 -12.82 51.0 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.568 -0.96 . . . . 0.0 109.771 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -7.83 22.85 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.535 1.159 . . . . 0.0 108.013 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -80.2 -43.43 21.52 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.247 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.671 ' C ' ' H ' ' A' ' 997' ' ' ARG . 67.7 mtp180 -77.88 -21.65 50.96 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.605 0.717 . . . . 0.0 111.907 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 997' ' ' ARG . 26.6 t-20 -64.48 17.15 0.02 OUTLIER 'General case' 0 C--N 1.276 -2.593 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.479 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.5 mmt85 -18.88 88.03 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 86.5 Cg_endo -82.94 5.87 6.16 Favored 'Trans proline' 0 CA--C 1.568 2.218 0 N-CA-C 116.15 1.558 . . . . 0.0 116.15 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 4.0 Cg_endo -97.96 39.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 CA-C-N 122.579 1.957 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 999' ' ' PRO . 14.2 tp 40.82 86.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.01 -108.48 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.057 -1.027 . . . . 0.0 110.345 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.98 120.14 13.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.259 -0.901 . . . . 0.0 110.318 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' 1004 ' ' ASP . 0.9 OUTLIER -68.55 -104.66 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.386 -0.821 . . . . 0.0 109.135 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' 1005 ' ' GLU . 39.0 t0 -57.73 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.812 -0.555 . . . . 0.0 109.54 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' 1004 ' ' ASP . 6.6 mm-40 -53.96 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.03 -1.044 . . . . 0.0 109.812 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' 1006 ' ' GLU . 4.9 mp0 -80.14 134.05 36.12 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.431 -0.793 . . . . 0.0 109.635 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 159.0 123.84 0.73 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.229 -1.159 . . . . 0.0 109.598 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 684' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.53 4.907 0 N-CA-C 119.766 2.666 . . . . 0.0 119.766 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.76 77.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -1.124 . . . . 0.0 109.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 686' ' ' MET . . . . . 0.494 ' N ' ' O ' ' B' ' 684' ' ' GLY . 45.3 mtt 51.99 75.01 0.23 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.837 . . . . 0.0 109.822 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.19 -174.71 46.73 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 89.4 p -64.79 -150.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.428 -1.042 . . . . 0.0 109.665 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -142.6 -51.07 0.37 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.3 -0.875 . . . . 0.0 109.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.55 -58.78 12.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 52.1 Cg_exo -54.52 -131.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.718 2.279 . . . . 0.0 112.031 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.665 ' O ' HG22 ' B' ' 693' ' ' ILE . 38.7 t0 -156.11 -31.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.665 HG22 ' O ' ' B' ' 692' ' ' ASP . 4.0 tp 50.37 -1.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-O 121.329 0.585 . . . . 0.0 110.78 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.6 -52.64 9.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.473 -1.392 . . . . 0.0 109.082 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 36.9 t -57.15 -53.27 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.74 . . . . 0.0 110.072 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 697' ' ' LEU . 3.4 m -59.21 -41.99 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 109.537 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.462 ' N ' HG23 ' B' ' 696' ' ' VAL . 49.7 tp -66.17 -38.85 89.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -45.15 66.82 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.294 -0.879 . . . . 0.0 108.674 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 9.4 t -64.53 -46.89 80.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.398 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.58 -52.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.726 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.784 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.54 HD12 ' HE1' ' A' ' 987' ' ' MET . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 713' ' ' LEU . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m -76.33 -42.96 43.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.042 -1.037 . . . . 0.0 110.506 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 722' ' ' HIS . . . . . 0.408 ' NE2' ' CD1' ' B' ' 718' ' ' LEU . 6.0 m-70 -53.58 -29.01 35.35 Favored 'General case' 0 C--N 1.298 -1.63 0 O-C-N 120.81 -1.181 . . . . 0.0 108.954 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.99 -36.47 17.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.335 -0.853 . . . . 0.0 111.246 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -44.44 -33.3 1.64 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.885 -1.135 . . . . 0.0 110.478 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -59.09 3.97 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.888 -1.132 . . . . 0.0 109.567 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 730' ' ' PHE . 33.5 tt0 -64.28 -47.19 80.49 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -49.8 -40.12 40.64 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.03 -60.03 2.45 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -25.22 2.53 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.414 -0.803 . . . . 0.0 109.377 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' B' ' 726' ' ' GLU . 30.8 t80 -70.36 -60.75 2.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 109.258 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.84 -24.01 67.41 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.724 -0.61 . . . . 0.0 109.53 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.1 -44.49 84.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.98 -40.72 83.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.642 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -64.66 -24.08 67.46 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -0.909 . . . . 0.0 109.909 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.66 12.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.918 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' B' ' 740' ' ' ASP . 53.6 mtp85 -72.84 -42.15 64.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 110.139 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.08 22.9 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 109.893 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -64.66 -68.35 0.36 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -52.0 -19.65 1.96 Allowed 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' B' ' 738' ' ' LYS . 18.3 t70 -104.47 28.39 7.0 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.065 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 91.1 m -166.49 -20.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.961 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -84.77 11.82 8.44 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.465 0.65 . . . . 0.0 109.497 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -169.52 36.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.527 -0.733 . . . . 0.0 110.137 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -138.91 66.36 39.85 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.12 -0.987 . . . . 0.0 110.395 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -90.99 16.65 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 123.007 2.471 . . . . 0.0 112.04 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.412 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.0 pp -83.63 -37.93 22.22 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.412 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.2 OUTLIER -56.28 -55.64 30.84 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -44.7 -36.44 3.14 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.355 0.598 . . . . 0.0 109.691 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -175.75 -76.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.225 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.51 28.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.0 109.45 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 3.2 m 179.41 172.82 0.88 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.494 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 94.1 m -155.93 -84.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' B' ' 756' ' ' ASN . 11.1 t80 -70.91 -143.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.085 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.5 t 39.44 22.95 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.23 0.538 . . . . 0.0 110.496 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 754' ' ' PHE . 57.9 t-20 -105.55 34.56 3.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.473 -0.767 . . . . 0.0 109.1 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.89 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.8 mp -51.71 126.88 7.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.363 -0.836 . . . . 0.0 109.617 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.5 t -171.66 -164.43 0.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.401 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.18 112.33 1.5 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -80.92 -162.6 0.5 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.88 -95.53 0.1 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.506 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.961 0 N-CA-C 119.754 2.661 . . . . 0.0 119.754 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.88 34.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 109.391 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 21.4 mmt -80.0 39.86 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.324 -0.86 . . . . 0.0 109.419 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 176.98 156.18 15.23 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 60.5 p -171.41 131.23 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -1.141 . . . . 0.0 109.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 8.7 mp0 -80.67 7.59 9.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.231 -0.918 . . . . 0.0 109.586 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 962' ' ' ARG . 39.2 mt-10 -91.17 -82.2 0.3 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 961' ' ' GLU . 37.4 mmt-85 38.3 -110.48 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.865 -0.522 . . . . 0.0 110.399 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -179.82 28.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 109.1 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.464 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 14.5 mt 44.33 62.93 9.2 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.369 -0.832 . . . . 0.0 110.464 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 968' ' ' TRP . 52.3 Cg_exo -56.39 6.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.092 2.528 . . . . 0.0 113.264 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.448 ' H ' ' C ' ' A' ' 964' ' ' ILE . 4.8 mm -46.28 -22.53 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.057 . . . . 0.0 108.328 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -62.76 -51.53 66.78 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -56.94 -44.32 82.41 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.309 178.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.0 t -64.76 -46.13 93.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 970' ' ' LEU . 0.2 OUTLIER -56.61 -50.93 70.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.422 HD22 HG22 ' B' ' 704' ' ' ILE . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.531 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.56 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.84 -38.14 89.99 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -68.83 -41.46 78.52 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.835 0.826 . . . . 0.0 108.919 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 990' ' ' VAL . 13.7 t -57.11 -2.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -139.28 -27.15 0.25 Allowed Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.3 t80 -86.12 -15.35 41.38 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.608 -0.937 . . . . 0.0 109.848 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.25 -14.58 18.4 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.377 1.084 . . . . 0.0 108.358 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -71.41 -46.71 59.49 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 122.109 0.956 . . . . 0.0 108.465 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 997' ' ' ARG . 24.6 mtp85 -77.96 -130.17 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.457 0.646 . . . . 0.0 110.281 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 997' ' ' ARG . 10.8 t30 45.57 19.71 0.05 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.547 -0.721 . . . . 0.0 109.62 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 996' ' ' ASN . 5.4 mmt-85 -22.13 91.77 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.073 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 47.2 Cg_endo -89.67 14.51 2.14 Favored 'Trans proline' 0 CA--C 1.565 2.051 0 C-N-CA 122.101 1.868 . . . . 0.0 116.096 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.6 Cg_endo -88.3 -156.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 CA-C-N 122.239 1.835 . . . . 0.0 111.794 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.8 tp -91.15 63.31 5.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.046 -1.034 . . . . 0.0 109.056 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -63.55 142.43 58.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.878 . . . . 0.0 110.037 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.55 154.67 19.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.312 -0.868 . . . . 0.0 109.233 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -126.0 67.32 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.619 -0.675 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' 1005 ' ' GLU . 7.6 p-10 -117.55 -121.87 0.3 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.898 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1006 ' ' GLU . 27.1 mt-10 -39.98 -65.68 0.38 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.752 -0.592 . . . . 0.0 110.456 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1005 ' ' GLU . 40.5 mt-10 41.03 -164.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.603 -0.685 . . . . 0.0 110.362 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 87.45 -88.22 1.57 Allowed Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.248 -1.148 . . . . 0.0 109.469 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.941 0 N-CA-C 119.763 2.665 . . . . 0.0 119.763 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.67 57.45 6.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.236 -1.155 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 13.8 ptp -71.09 -173.94 0.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 109.574 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -166.05 -38.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 15.0 m -150.68 108.44 3.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -1.141 . . . . 0.0 109.218 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' B' ' 689' ' ' LYS . 1.5 mppt? -82.71 -37.43 24.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.194 -0.941 . . . . 0.0 109.549 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -46.44 -72.14 0.43 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.67 -152.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.755 2.303 . . . . 0.0 111.748 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' B' ' 694' ' ' LEU . 7.7 t70 -119.18 -20.12 8.11 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.581 HG22 ' O ' ' B' ' 692' ' ' ASP . 19.4 tt 50.58 -19.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.624 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.67 -52.53 10.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.283 -1.511 . . . . 0.0 109.565 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 42.6 t -53.59 -53.61 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.218 -0.926 . . . . 0.0 110.405 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 697' ' ' LEU . 17.2 m -60.5 -44.38 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.08 -1.013 . . . . 0.0 109.557 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.573 ' N ' HG23 ' B' ' 696' ' ' VAL . 58.4 tp -51.97 -51.57 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -50.9 -51.2 54.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.195 -179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.1 p -61.08 -49.45 77.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.266 -0.896 . . . . 0.0 109.192 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.95 -50.92 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.392 -0.818 . . . . 0.0 109.378 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.468 ' SD ' HD12 ' B' ' 704' ' ' ILE . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.468 HD12 ' SD ' ' B' ' 701' ' ' MET . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 984' ' ' VAL . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m -71.39 -23.37 61.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.8 -40.13 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.244 -0.91 . . . . 0.0 109.67 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -50.71 -32.23 18.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.916 -1.115 . . . . 0.0 108.771 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -87.53 -31.45 19.92 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.501 -0.749 . . . . 0.0 110.685 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -46.56 -34.46 4.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.914 -1.116 . . . . 0.0 109.561 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -58.74 5.01 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.188 -0.945 . . . . 0.0 109.24 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 730' ' ' PHE . 34.2 tt0 -63.9 -45.81 87.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.09 -41.21 47.82 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.29 -60.92 2.02 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -21.25 1.9 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.418 -0.801 . . . . 0.0 109.406 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' B' ' 726' ' ' GLU . 74.5 t80 -73.32 -60.19 2.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.924 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.92 -24.07 65.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.053 -1.03 . . . . 0.0 109.192 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.81 -48.46 46.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.275 -0.891 . . . . 0.0 109.375 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -57.07 -38.06 72.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.369 -0.832 . . . . 0.0 109.678 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -65.45 -41.25 93.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 109.818 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.49 67.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.103 -0.998 . . . . 0.0 110.013 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -58.27 -46.87 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.978 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.71 -37.53 5.96 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.188 -0.945 . . . . 0.0 109.807 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -71.46 -64.83 0.84 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.886 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 741' ' ' THR . 15.5 t-105 -51.34 -20.66 1.81 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.484 ' O ' HG23 ' B' ' 741' ' ' THR . 13.3 t70 -72.9 10.28 0.94 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.617 0.722 . . . . 0.0 109.217 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 740' ' ' ASP . 25.3 p -157.86 -173.78 4.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 48.78 15.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 109.179 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 741' ' ' THR . 1.5 m120 -150.31 12.11 0.72 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -139.11 66.58 38.85 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.578 -0.701 . . . . 0.0 109.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -92.57 23.31 0.55 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 123.026 2.484 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.2 pp -80.63 -40.76 25.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.417 -0.802 . . . . 0.0 109.457 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.439 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.1 OUTLIER -71.36 -55.28 8.31 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.389 -0.819 . . . . 0.0 108.875 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 747' ' ' TYR . 3.5 ttpm? -41.24 -37.1 0.88 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.479 0.657 . . . . 0.0 109.682 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.07 -67.21 0.73 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -178.78 -79.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.497 -0.752 . . . . 0.0 109.034 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' B' ' 752' ' ' SER . 0.1 OUTLIER 178.4 26.66 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.559 -0.713 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.7 OUTLIER 166.37 -168.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.295 -0.878 . . . . 0.0 109.123 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' B' ' 756' ' ' ASN . 47.9 m -156.29 -36.42 0.08 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.385 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.4 t80 -90.23 11.7 20.34 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.803 0.811 . . . . 0.0 109.378 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.412 ' C ' ' H ' ' B' ' 757' ' ' ILE . 70.4 m -87.78 -19.24 27.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.766 -0.584 . . . . 0.0 109.855 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 756' ' ' ASN . 0.8 OUTLIER -74.74 11.48 1.04 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.061 -1.025 . . . . 0.0 109.629 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' B' ' 755' ' ' THR . 11.9 mm -98.37 118.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.507 -0.745 . . . . 0.0 109.365 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 7.4 m -162.66 161.67 26.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.521 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -59.67 127.23 30.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.55 98.9 3.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.311 -0.868 . . . . 0.0 109.039 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 59.58 -139.76 48.37 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.278 -1.131 . . . . 0.0 109.309 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.784 2.673 . . . . 0.0 119.784 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 50.69 70.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -1.137 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.8 ttm -76.88 111.03 11.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.397 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 67.58 -174.21 28.48 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 960' ' ' GLU . 1.7 p -68.77 -148.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.136 -1.214 . . . . 0.0 109.467 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.533 ' N ' ' OG ' ' A' ' 959' ' ' SER . 44.8 mt-10 -81.74 -82.54 0.13 Allowed 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.024 0.916 . . . . 0.0 110.002 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 962' ' ' ARG . 62.7 mt-10 -100.71 39.32 1.39 Allowed 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.953 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 961' ' ' GLU . 6.6 tpt180 -60.63 -149.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.176 -0.952 . . . . 0.0 109.237 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -165.92 15.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.3 mt 44.69 66.97 4.48 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.173 -0.955 . . . . 0.0 109.83 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.67 87.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.272 2.648 . . . . 0.0 112.99 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.98 -22.72 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.925 . . . . 0.0 109.581 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -50.0 41.88 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.54 -54.56 35.5 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.343 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.22 -44.19 97.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -57.31 -51.95 67.3 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 979' ' ' LEU . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.728 HG13 ' CG ' ' B' ' 715' ' ' TRP . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.918 ' SD ' HD11 ' B' ' 719' ' ' ILE . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER -66.76 -36.87 83.44 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -67.53 -38.86 84.85 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.871 0.843 . . . . 0.0 108.947 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.5 t -55.62 -2.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.72 -28.89 0.09 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.58 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 90.0 t80 -80.57 -16.66 53.6 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.496 -1.002 . . . . 0.0 109.742 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.02 -28.56 22.55 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 122.098 0.951 . . . . 0.0 108.85 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -55.64 -44.49 77.2 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -85.6 -127.16 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.423 0.63 . . . . 0.0 110.003 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.9 t30 46.24 49.72 12.56 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.034 0.921 . . . . 0.0 109.239 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.463 ' C ' ' HD2' ' A' ' 999' ' ' PRO . 7.2 mmt180 -105.37 94.07 7.76 Favored Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.605 -0.685 . . . . 0.0 111.867 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.7 Cg_endo -85.86 10.55 3.64 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 C-N-CA 122.06 1.84 . . . . 0.0 116.309 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 42.6 Cg_endo -88.8 -159.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.3 0 CA-C-N 122.379 1.885 . . . . 0.0 111.117 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.27 47.01 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 108.346 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' 1001 ' ' GLU . 0.4 OUTLIER -44.95 138.91 3.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.522 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.77 159.78 25.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.457 -0.777 . . . . 0.0 109.86 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' 1003 ' ' ASP . 15.7 t70 -113.82 49.03 1.02 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' 1005 ' ' GLU . 34.1 t0 -104.39 -156.76 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.383 -0.823 . . . . 0.0 109.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' A' 1004 ' ' ASP . 36.1 mt-10 -49.07 -36.52 18.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.963 . . . . 0.0 109.394 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.41 69.09 1.15 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 109.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 178.01 -83.51 0.07 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.288 -1.125 . . . . 0.0 109.236 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.979 0 N-CA-C 119.764 2.666 . . . . 0.0 119.764 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -171.63 92.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -1.146 . . . . 0.0 109.577 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.1 tpt -75.22 -124.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -164.29 -149.2 5.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 84.5 p -153.67 -155.5 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.172 -1.193 . . . . 0.0 109.452 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -138.53 -2.22 1.8 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.442 -0.786 . . . . 0.0 109.625 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.69 -78.58 0.31 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.88 -153.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.582 2.188 . . . . 0.0 111.829 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.685 ' O ' ' N ' ' B' ' 694' ' ' LEU . 10.1 t70 -105.43 -30.25 9.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.722 -0.611 . . . . 0.0 109.489 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 692' ' ' ASP . 19.6 tt 50.3 -37.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.685 ' N ' ' O ' ' B' ' 692' ' ' ASP . 56.6 tp -59.1 -51.75 68.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.392 -1.442 . . . . 0.0 110.424 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.62 -54.03 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.016 -1.052 . . . . 0.0 110.788 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 5.1 m -67.11 -41.4 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 110.038 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.451 ' O ' ' SD ' ' B' ' 701' ' ' MET . 32.9 tp -57.23 -43.23 82.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.894 -1.129 . . . . 0.0 108.91 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.39 -45.31 84.65 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.185 -0.947 . . . . 0.0 108.89 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.4 p -62.83 -48.15 80.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.296 -0.877 . . . . 0.0 109.084 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.26 -51.59 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.658 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.475 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.728 ' CG ' HG13 ' A' ' 984' ' ' VAL . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.711 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.918 HD11 ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m -70.25 -43.21 71.0 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 45.2 mt -51.92 -42.65 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.38 -30.98 31.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.657 -1.277 . . . . 0.0 108.398 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -87.68 -27.83 22.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.58 -0.7 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -45.96 -32.26 2.64 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.932 -1.105 . . . . 0.0 109.937 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -58.8 4.73 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.94 -1.1 . . . . 0.0 109.047 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -63.85 -47.81 79.25 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.02 -38.19 49.82 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.09 -59.59 2.67 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -28.79 4.43 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 109.172 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.0 t80 -68.62 -60.9 2.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -66.97 -24.1 66.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.69 -0.631 . . . . 0.0 109.564 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.226 -0.921 . . . . 0.0 109.435 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.58 -40.02 64.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -59.59 -28.46 67.17 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.48 -49.73 14.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -67.03 -48.12 69.34 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.222 -0.923 . . . . 0.0 110.005 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.74 -35.8 4.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.317 -0.864 . . . . 0.0 110.055 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.4 mmmt -65.11 -65.74 0.63 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 110.187 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -51.61 -20.44 1.99 Allowed 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.423 ' O ' ' OG1' ' B' ' 741' ' ' THR . 19.5 t70 -87.32 21.48 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.386 0.612 . . . . 0.0 109.661 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.496 HG22 ' H ' ' B' ' 742' ' ' ALA . 2.0 m -168.26 -137.39 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.476 -0.765 . . . . 0.0 109.521 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.496 ' H ' HG22 ' B' ' 741' ' ' THR . . . 57.29 -136.04 1.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.6 41.72 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.377 -0.827 . . . . 0.0 109.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 742' ' ' ALA . 11.5 t30 -126.19 79.44 69.82 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.155 -0.965 . . . . 0.0 109.842 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -93.26 25.4 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 123.262 2.641 . . . . 0.0 111.888 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.78 -26.65 62.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.593 -0.692 . . . . 0.0 109.522 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -60.33 2.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.915 . . . . 0.0 108.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -43.66 -34.03 1.36 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.287 0.565 . . . . 0.0 109.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.68 -58.26 9.36 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.281 -0.887 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 58.44 61.67 2.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.413 -0.804 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.3 p -145.48 58.43 1.26 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 26.9 m -61.98 177.34 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.219 -0.926 . . . . 0.0 109.399 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 65.1 m -83.03 -26.9 30.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' B' ' 755' ' ' THR . 29.8 t80 -71.67 -175.72 1.43 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 0.0 109.215 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.464 ' N ' ' CD2' ' B' ' 754' ' ' PHE . 9.9 t 38.4 41.9 0.49 Allowed 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 121.513 0.673 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -102.81 38.54 1.71 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 12.4 mt -117.43 136.44 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.693 -0.629 . . . . 0.0 109.427 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.8 m -158.53 162.75 37.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.214 -0.929 . . . . 0.0 109.535 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -63.93 124.31 21.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.3 -0.875 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -146.17 -168.89 3.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.231 -0.918 . . . . 0.0 109.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -174.75 -109.95 0.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.428 ' H ' HG22 ' B' ' 762' ' ' THR . 1.1 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.196 -1.179 . . . . 0.0 109.568 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.969 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.25 151.31 15.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -1.129 . . . . 0.0 109.517 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 957' ' ' MET . 1.8 tmt? -161.55 -41.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -166.5 159.75 33.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 961' ' ' GLU . 90.0 p -163.68 109.24 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -1.176 . . . . 0.0 109.673 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 12.9 mp0 -71.66 8.18 1.23 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.358 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 959' ' ' SER . 72.5 mt-10 -76.76 -43.34 37.41 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.754 -0.591 . . . . 0.0 109.574 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 961' ' ' GLU . 11.5 tpt180 59.16 119.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.97 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -166.71 -59.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -0.997 . . . . 0.0 109.683 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 966' ' ' ILE . 5.0 mt 50.74 70.76 1.82 Allowed Pre-proline 0 N--CA 1.486 1.352 0 O-C-N 121.166 -0.959 . . . . 0.0 109.021 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.33 53.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 123.528 2.819 . . . . 0.0 113.86 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.4 mm -52.9 -26.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 120.569 -1.332 . . . . 0.0 108.946 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -48.9 67.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -53.81 -50.55 65.91 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.64 -1.163 . . . . 0.0 108.255 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.43 -44.63 97.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp -62.0 -48.95 78.04 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 983' ' ' LEU . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 979' ' ' LEU . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.602 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -66.67 -37.48 84.86 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.2 tptt -68.42 -39.01 81.73 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.79 0.805 . . . . 0.0 108.863 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.0 t -56.76 -2.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.975 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -144.03 -29.2 0.11 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.5 t80 -80.77 -16.56 53.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.553 -0.969 . . . . 0.0 109.75 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.92 -13.09 22.65 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 122.377 1.084 . . . . 0.0 108.693 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -84.88 -46.13 11.59 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.249 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.671 ' C ' ' H ' ' A' ' 997' ' ' ARG . 77.2 mtp180 -75.93 -29.43 58.36 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.781 0.8 . . . . 0.0 111.309 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 997' ' ' ARG . 57.3 t-20 -68.28 25.44 0.02 OUTLIER 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 995' ' ' ARG . 5.3 mmt180 -19.68 88.13 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 33.0 Cg_exo -63.82 -14.92 45.92 Favored 'Trans proline' 0 CA--C 1.569 2.25 0 C-N-CA 122.497 2.131 . . . . 0.0 116.086 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.466 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 15.7 Cg_endo -97.26 -153.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 122.298 1.857 . . . . 0.0 112.158 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 20.8 tp -72.52 111.04 7.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 108.748 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -80.16 -50.71 9.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 109.681 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -47.85 130.26 14.77 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.68 76.53 0.1 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.879 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' 1006 ' ' GLU . 0.5 OUTLIER -103.05 127.92 50.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.405 -0.809 . . . . 0.0 109.498 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' 1006 ' ' GLU . 0.9 OUTLIER 59.12 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.538 -0.726 . . . . 0.0 110.416 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' 1004 ' ' ASP . 56.9 mt-10 -37.11 111.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.403 0.62 . . . . 0.0 110.636 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 172.82 -28.0 0.09 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.444 -1.033 . . . . 0.0 109.254 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.951 0 N-CA-C 119.689 2.636 . . . . 0.0 119.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.96 103.98 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -1.161 . . . . 0.0 109.493 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.3 tpt -66.67 -78.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -84.29 155.5 31.24 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 27.1 t -68.42 -169.65 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.164 . . . . 0.0 109.445 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' B' ' 689' ' ' LYS . 3.5 mptp? -82.2 -74.81 0.33 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 0.0 109.411 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -94.99 -56.41 1.31 Allowed Glycine 0 N--CA 1.496 2.687 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.3 Cg_exo -53.69 -133.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.885 2.39 . . . . 0.0 112.515 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' B' ' 694' ' ' LEU . 46.6 t0 -159.59 -30.32 0.06 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.433 -0.792 . . . . 0.0 109.5 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 61.97 -8.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.565 -0.71 . . . . 0.0 109.729 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.95 -50.73 15.75 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.852 -1.155 . . . . 0.0 109.722 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 51.7 t -53.52 -53.32 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.058 -1.026 . . . . 0.0 109.953 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.494 HG23 ' N ' ' B' ' 697' ' ' LEU . 34.3 m -60.01 -40.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.076 -1.015 . . . . 0.0 109.389 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 696' ' ' VAL . 11.8 tp -51.47 -53.14 40.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.029 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -51.17 -53.37 35.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.353 -0.842 . . . . 0.0 109.234 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 87.0 p -65.26 -52.05 56.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.251 -0.906 . . . . 0.0 109.608 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t -54.7 -45.42 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 109.852 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.442 ' CD1' HG13 ' A' ' 984' ' ' VAL . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 717' ' ' LEU . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.602 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -60.49 -26.38 66.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 67.8 mt -73.92 -37.84 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 121.298 -0.876 . . . . 0.0 109.321 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.27 -27.74 37.09 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.37 -30.18 20.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.63 -0.669 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -47.11 -32.67 4.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.834 -1.166 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -58.44 5.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.098 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.38 -47.63 83.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.012 . . . . 0.0 108.563 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.95 -36.96 65.86 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.83 -58.1 3.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -26.6 3.69 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.324 -0.86 . . . . 0.0 109.098 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.58 -60.9 2.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.284 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.24 -23.7 65.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.644 -0.66 . . . . 0.0 109.226 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.78 -51.05 66.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.15 -42.67 98.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 109.311 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -57.35 -32.59 66.9 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.278 -0.889 . . . . 0.0 109.335 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -75.78 -39.22 57.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 0.0 109.584 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -54.75 -61.94 1.98 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.117 -0.989 . . . . 0.0 109.428 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.97 -42.7 49.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.243 -0.91 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -63.02 -63.72 1.12 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.34 -0.85 . . . . 0.0 109.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -52.31 -21.32 3.39 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 50.5 t0 -88.57 6.12 39.58 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.585 0.707 . . . . 0.0 109.344 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 738' ' ' LYS . 46.6 p -156.19 -139.5 0.08 Allowed 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.99 -134.35 1.55 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.095 -1.003 . . . . 0.0 108.604 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.65 31.76 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.339 -0.851 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' B' ' 742' ' ' ALA . 7.3 t-20 -139.72 65.7 32.53 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -93.25 23.1 0.53 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 123.028 2.485 . . . . 0.0 112.2 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.3 pp -46.88 -40.37 13.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.469 -0.77 . . . . 0.0 109.93 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.448 ' N ' HD12 ' B' ' 746' ' ' LEU . 1.4 t80 -65.98 -67.23 0.46 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -45.02 -40.66 6.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.808 -0.558 . . . . 0.0 110.034 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' B' ' 750' ' ' ALA . 2.2 tt0 -54.21 -36.03 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' B' ' 749' ' ' GLU . . . 73.97 77.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 9.4 t -71.05 22.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.306 -0.871 . . . . 0.0 109.874 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.537 ' H ' ' C ' ' B' ' 750' ' ' ALA . 57.1 m -97.14 41.5 1.11 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.383 -0.823 . . . . 0.0 109.019 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.495 ' C ' ' H ' ' B' ' 755' ' ' THR . 91.7 m -96.17 -25.96 15.64 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.844 . . . . 0.0 109.633 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -67.59 4.22 1.13 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.385 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 753' ' ' THR . 13.5 t -133.55 34.57 3.45 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' B' ' 756' ' ' ASN . 0.3 OUTLIER -128.9 31.29 4.95 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.75 . . . . 0.0 109.002 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 53.2 mt -70.82 94.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.472 -0.767 . . . . 0.0 109.545 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 43.2 p -51.39 144.88 9.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 88.1 t80 -82.49 72.63 9.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -49.67 112.93 0.73 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.187 -0.945 . . . . 0.0 109.428 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -71.61 90.13 0.46 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.238 -1.154 . . . . 0.0 109.501 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -59.47 177.88 0.17 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -1.158 . . . . 0.0 109.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -165.73 167.03 17.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -0.922 . . . . 0.0 109.446 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.418 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -67.11 154.59 52.84 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 9.9 m -166.32 168.94 14.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.339 -1.094 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -76.37 7.84 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -84.38 -46.41 11.75 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.744 -0.597 . . . . 0.0 109.442 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -66.98 -139.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.525 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -169.33 -31.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 109.711 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.0 mt 50.15 70.05 2.27 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.646 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.81 110.4 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.205 2.603 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 970' ' ' LEU . 1.9 mt -63.62 -24.55 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.605 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -47.97 63.13 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.75 -54.08 46.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.47 -43.02 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 966' ' ' ILE . 2.0 tt -56.48 -51.45 68.43 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 974' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 983' ' ' LEU . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.459 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.569 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -62.32 -38.4 89.32 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 mptt -74.68 -33.77 62.53 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.46 0.648 . . . . 0.0 110.041 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.3 t -56.07 -3.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 O-C-N 121.451 -0.781 . . . . 0.0 109.439 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.84 -29.91 0.08 OUTLIER Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -15.46 58.34 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.559 -0.966 . . . . 0.0 109.848 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -9.96 24.16 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 122.231 1.015 . . . . 0.0 108.898 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -82.21 -42.47 18.92 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 121.678 0.751 . . . . 0.0 109.091 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.0 mtt180 -92.08 -17.61 24.75 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.734 0.778 . . . . 0.0 111.548 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 997' ' ' ARG . 37.3 t30 -68.97 33.65 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.2 mmt85 -18.76 87.94 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 24.8 Cg_exo -64.26 -12.14 31.36 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 122.932 2.421 . . . . 0.0 116.608 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' 1001 ' ' GLU . 58.6 Cg_endo -90.83 -176.84 1.04 Allowed 'Trans proline' 0 N--CA 1.485 0.977 0 CA-C-N 122.657 1.985 . . . . 0.0 111.954 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.32 59.23 0.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.162 -0.961 . . . . 0.0 109.674 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 999' ' ' PRO . 17.8 tp10 -141.72 55.24 1.5 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.17 -0.956 . . . . 0.0 109.415 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.72 47.43 0.5 Allowed 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.18 -0.95 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.9 134.74 28.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 109.37 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.36 179.25 0.33 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.0 109.167 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.63 176.92 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.059 -1.026 . . . . 0.0 109.503 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -117.1 -107.7 0.37 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 109.614 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 166.74 -117.81 0.76 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.923 0 N-CA-C 119.832 2.693 . . . . 0.0 119.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.02 -94.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -1.162 . . . . 0.0 109.366 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 36.1 mtt -77.25 -144.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.266 -0.896 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 165.99 -146.6 11.19 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.415 ' C ' ' H ' ' B' ' 690' ' ' GLY . 18.5 p -50.91 110.14 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -1.143 . . . . 0.0 109.432 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -63.38 -1.43 1.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.532 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -169.19 -56.1 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.2 Cg_exo -52.19 -129.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 123.083 2.522 . . . . 0.0 112.509 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 694' ' ' LEU . 62.7 t0 -157.0 -26.48 0.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.994 . . . . 0.0 109.935 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 61.14 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.651 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.24 -48.66 27.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.791 -1.193 . . . . 0.0 109.417 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.84 -53.82 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.088 -1.008 . . . . 0.0 109.993 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.566 HG23 ' N ' ' B' ' 697' ' ' LEU . 19.0 m -63.83 -45.7 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 120.98 -1.075 . . . . 0.0 109.443 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.566 ' N ' HG23 ' B' ' 696' ' ' VAL . 12.1 tp -58.06 -38.73 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.162 -0.961 . . . . 0.0 108.866 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.649 ' C ' HD13 ' B' ' 698' ' ' LEU . 3.1 tm? -54.03 -48.56 70.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 22.7 t -60.78 -47.07 88.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.441 -0.787 . . . . 0.0 109.316 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t -54.07 -50.1 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.395 -0.816 . . . . 0.0 109.728 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.459 ' NE1' HG13 ' A' ' 984' ' ' VAL . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.569 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m -76.27 -25.24 54.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.22 -33.63 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 110.078 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -53.1 -33.69 53.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.683 -1.261 . . . . 0.0 108.312 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 723' ' ' ASP . 0.8 OUTLIER -87.66 -31.84 19.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 0.0 110.709 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.06 -32.38 4.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.85 -1.156 . . . . 0.0 109.717 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.96 2.78 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.048 -1.033 . . . . 0.0 109.364 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -64.65 -47.26 79.12 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -50.19 -39.11 43.06 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.18 -60.38 2.32 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -33.43 10.73 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.387 -0.821 . . . . 0.0 109.291 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' B' ' 726' ' ' GLU . 34.3 t80 -71.31 -60.38 2.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.949 . . . . 0.0 109.177 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.711 -0.618 . . . . 0.0 109.385 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.58 -45.27 93.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 0.0 109.212 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.31 -45.09 73.93 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.344 -0.847 . . . . 0.0 109.276 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.63 -33.57 74.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.243 -0.911 . . . . 0.0 109.443 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.04 71.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -78.71 -16.74 56.88 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.13 -0.981 . . . . 0.0 109.661 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -59.42 -18.66 41.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.972 . . . . 0.0 109.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' B' ' 740' ' ' ASP . 11.6 mmtt -63.25 -66.6 0.52 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.893 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -51.64 -20.55 2.09 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 740' ' ' ASP . 9.6 t0 -96.33 23.74 6.41 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.444 0.64 . . . . 0.0 109.571 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.443 ' O ' ' O ' ' B' ' 742' ' ' ALA . 5.8 p -148.93 -163.0 1.68 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.442 -0.786 . . . . 0.0 109.121 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 52.65 101.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 0.0 109.164 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 53.63 31.22 12.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.677 HD22 HD12 ' B' ' 746' ' ' LEU . 43.5 t-20 -42.83 106.53 0.48 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.602 -0.686 . . . . 0.0 110.07 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -85.38 17.6 1.73 Allowed 'Trans proline' 0 N--CA 1.487 1.135 0 C-N-CA 122.108 1.872 . . . . 0.0 112.109 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.677 HD12 HD22 ' B' ' 744' ' ' ASN . 6.8 mt -65.43 -39.94 92.72 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.56 -64.67 0.81 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 108.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -42.04 -32.46 0.45 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-O 121.287 0.565 . . . . 0.0 110.071 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' B' ' 751' ' ' THR . 1.6 tt0 -72.41 -50.53 25.71 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.928 . . . . 0.0 108.933 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 48.46 18.71 0.18 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.68 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.406 ' N ' ' C ' ' B' ' 749' ' ' GLU . 5.0 p 49.62 41.03 20.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 33.3 p -157.8 50.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.3 m -84.14 -78.58 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 64.4 t80 -93.73 6.46 48.26 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.768 0.794 . . . . 0.0 109.28 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.3 m -90.23 12.77 17.06 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 758' ' ' THR . 9.4 t-20 -123.6 39.1 4.04 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.507 -0.746 . . . . 0.0 109.41 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.777 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -49.45 90.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 759' ' ' TYR . 0.7 OUTLIER -86.43 -154.4 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.213 -0.929 . . . . 0.0 109.072 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.547 ' H ' HG22 ' B' ' 758' ' ' THR . 68.2 t80 -104.25 47.41 0.88 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.348 -0.845 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -75.43 101.98 5.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.1 143.68 4.62 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.255 -1.144 . . . . 0.0 109.467 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.691 2.637 . . . . 0.0 119.691 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 956' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 958' ' ' GLY . . . 50.64 41.8 26.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -1.143 . . . . 0.0 109.503 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 27.4 ttp 54.88 4.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.329 -0.857 . . . . 0.0 109.735 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 956' ' ' ALA . . . 79.6 -78.45 1.76 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 23.6 m -68.95 135.56 51.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.523 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 7.9 mp0 -79.62 8.73 5.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.892 . . . . 0.0 109.24 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 962' ' ' ARG . 38.5 mt-10 -55.86 -57.03 13.76 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 961' ' ' GLU . 33.4 ttt85 58.83 141.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.557 0.694 . . . . 0.0 110.349 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -157.91 16.43 0.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.461 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 14.2 mt 43.53 62.84 8.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.497 -0.752 . . . . 0.0 110.734 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.478 ' C ' ' N ' ' A' ' 967' ' ' TRP . 51.3 Cg_exo -56.81 5.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 964' ' ' ILE . 5.1 mm -45.81 -21.85 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.079 -1.013 . . . . 0.0 108.524 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.478 ' N ' ' C ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -62.13 -52.03 65.51 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -57.71 -42.35 83.57 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.391 178.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.6 t -66.45 -44.76 90.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.4 tt -55.07 -50.73 68.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 979' ' ' LEU . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.6 mptt -72.97 -35.64 66.95 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.672 0.749 . . . . 0.0 109.253 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.6 t -56.05 -2.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.3 -0.875 . . . . 0.0 109.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.01 -29.84 0.09 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -80.36 -19.38 46.55 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.44 -1.035 . . . . 0.0 109.729 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.67 -16.27 30.79 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -76.64 -43.95 36.01 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.97 101.38 12.95 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.852 0.834 . . . . 0.0 109.071 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 997' ' ' ARG . 33.5 t-20 -144.85 23.56 1.55 Allowed 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 996' ' ' ASN . 3.0 mmt85 -19.17 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.481 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 78.2 Cg_endo -75.68 -3.48 13.94 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 116.379 1.646 . . . . 0.0 116.379 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 0.9 OUTLIER -95.39 -130.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 CA-C-N 122.405 1.895 . . . . 0.0 110.558 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.5 37.76 4.31 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.37 28.75 6.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.525 -0.734 . . . . 0.0 109.613 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -95.1 114.63 26.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.195 -0.941 . . . . 0.0 109.312 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.48 144.64 54.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 109.218 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' 1005 ' ' GLU . 20.1 t70 -77.7 -154.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.055 -1.028 . . . . 0.0 109.446 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' 1006 ' ' GLU . 71.7 mt-10 -72.12 -30.17 64.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 1005 ' ' GLU . 95.1 mt-10 13.3 -111.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 158.6 -133.75 3.55 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.338 -1.095 . . . . 0.0 109.487 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.964 0 N-CA-C 119.796 2.679 . . . . 0.0 119.796 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 685' ' ' ALA . . . . . 0.44 ' C ' ' SD ' ' B' ' 686' ' ' MET . . . -62.14 -163.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -1.15 . . . . 0.0 109.503 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 686' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' B' ' 685' ' ' ALA . 2.5 mpt? -141.36 71.8 1.37 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.889 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.86 -171.71 51.88 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 80.9 p -156.49 -167.62 2.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.319 -1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -143.09 7.78 1.61 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.296 -0.878 . . . . 0.0 109.44 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -90.74 -74.31 1.28 Allowed Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 -100.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.794 2.329 . . . . 0.0 111.889 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 694' ' ' LEU . 5.9 t70 -156.48 -43.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.619 -0.676 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 63.94 -39.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.842 -0.536 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -57.65 -52.75 64.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 110.325 -179.184 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.65 -54.52 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.951 -1.093 . . . . 0.0 110.377 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 10.4 m -66.05 -40.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 120.863 -1.148 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.43 -50.46 62.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.151 -0.968 . . . . 0.0 108.618 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -51.55 -53.0 42.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.451 -0.781 . . . . 0.0 108.955 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 26.5 t -59.22 -50.08 75.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -0.927 . . . . 0.0 109.138 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.32 -49.24 77.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.521 -0.737 . . . . 0.0 109.653 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' HG13 ' A' ' 984' ' ' VAL . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 717' ' ' LEU . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m -67.02 -48.29 68.83 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.6 mt -55.86 -46.13 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -0.822 . . . . 0.0 109.939 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -30.93 49.77 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.837 -1.164 . . . . 0.0 108.144 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 723' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' B' ' 727' ' ' PHE . 7.7 m-20 -87.44 -32.24 19.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.603 -0.686 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -44.8 -32.35 1.52 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.102 -0.999 . . . . 0.0 109.709 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -59.78 2.56 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.091 -1.005 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.7 tt0 -63.69 -48.59 76.5 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' B' ' 723' ' ' ASP . 40.9 t80 -49.56 -39.11 33.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.56 1.84 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -25.16 2.17 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.293 -0.879 . . . . 0.0 109.52 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' B' ' 726' ' ' GLU . 32.7 t80 -72.27 -60.11 2.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.096 -1.002 . . . . 0.0 109.649 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.22 -23.73 67.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.02 . . . . 0.0 109.167 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.32 -49.64 70.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.273 -0.892 . . . . 0.0 109.225 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.409 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -63.96 -40.75 97.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.313 -0.867 . . . . 0.0 109.429 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.47 80.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' B' ' 740' ' ' ASP . 53.3 mtp180 -62.06 -46.19 90.22 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 109.513 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.63 -45.01 18.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.214 -0.929 . . . . 0.0 109.53 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.37 -66.38 0.56 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 110.073 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -51.42 -20.71 1.91 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' B' ' 738' ' ' LYS . 33.2 t0 -89.02 24.13 2.19 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 738' ' ' LYS . 90.0 m -166.77 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.985 0.898 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -65.74 104.56 1.08 Allowed 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 44.57 31.76 0.66 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.41 -0.806 . . . . 0.0 109.961 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' B' ' 746' ' ' LEU . 10.2 t-20 -53.28 111.7 2.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.756 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.89 14.07 2.52 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.201 1.934 . . . . 0.0 113.359 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.928 HD12 ' N ' ' B' ' 747' ' ' TYR . 3.5 pp -83.54 -33.25 25.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 109.347 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.928 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.4 OUTLIER -65.19 -50.88 64.2 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' B' ' 747' ' ' TYR . 53.9 tttm -41.69 -42.64 2.6 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.5 0.667 . . . . 0.0 109.474 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.634 ' O ' ' HB3' ' B' ' 750' ' ' ALA . 3.6 mt-10 -89.79 -55.47 3.62 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 749' ' ' GLU . . . 76.25 -33.69 0.22 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.471 ' H ' ' C ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER 175.07 30.01 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 751' ' ' THR . 4.3 p 62.59 130.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.067 -1.021 . . . . 0.0 109.23 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.476 ' C ' ' H ' ' B' ' 755' ' ' THR . 40.6 m -147.87 -32.41 0.27 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.052 -1.03 . . . . 0.0 109.906 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -68.79 5.45 1.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.0 109.4 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.476 ' H ' ' C ' ' B' ' 753' ' ' THR . 5.2 t -97.93 22.31 9.45 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -136.3 54.79 1.88 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.477 -0.764 . . . . 0.0 109.292 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 16.4 mm -46.21 144.23 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 109.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 758' ' ' THR . 0.0 OUTLIER -80.1 170.88 15.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 109.686 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 87.3 t80 -88.98 66.31 7.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.828 . . . . 0.0 109.483 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -152.1 168.13 26.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.262 -0.899 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 80.18 17.54 73.95 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.257 -1.143 . . . . 0.0 109.444 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 955' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 956' ' ' ALA . . . . . . . . 1 N--CA 1.531 4.99 0 N-CA-C 119.778 2.671 . . . . 0.0 119.778 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 956' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 955' ' ' GLY . . . 50.23 94.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.268 -1.136 . . . . 0.0 109.572 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 957' ' ' MET . 2.0 tmt? -166.72 -17.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.898 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -153.81 -68.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 31.4 m 49.54 -172.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -1.169 . . . . 0.0 109.356 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -145.45 6.85 1.12 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.835 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 963' ' ' ALA . 2.9 mp0 -89.99 30.72 1.04 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.573 -0.704 . . . . 0.0 109.501 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.25 78.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.317 -0.864 . . . . 0.0 109.73 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.71 -18.61 32.63 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 109.201 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.4 mt 46.59 66.93 4.91 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.309 -0.87 . . . . 0.0 109.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.38 110.01 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.914 2.41 . . . . 0.0 112.044 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.8 mt -58.13 -25.79 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.846 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -50.1 64.57 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.88 1.324 . . . . 0.0 107.509 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.508 ' HE1' ' CD2' ' B' ' 697' ' ' LEU . 0.2 OUTLIER -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.283 -2.319 0 CA-C-N 114.31 -1.314 . . . . 0.0 107.98 179.181 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 973' ' ' VAL . 4.1 t -65.74 -44.52 93.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -53.71 -49.28 68.41 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 974' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.432 HD11 HD13 ' A' ' 983' ' ' LEU . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 979' ' ' LEU . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.523 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.09 -37.83 88.85 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -66.12 -42.99 88.42 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.868 0.842 . . . . 0.0 108.769 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.498 ' O ' HG12 ' A' ' 990' ' ' VAL . 9.8 t -56.7 -2.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.165 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.28 -28.75 0.2 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 988' ' ' TRP . 74.1 t80 -81.85 -18.82 42.54 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.531 -0.982 . . . . 0.0 109.56 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -14.58 30.17 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -83.35 -49.29 9.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.274 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 997' ' ' ARG . 44.7 mtp85 -72.45 -120.95 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.492 0.663 . . . . 0.0 110.118 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 997' ' ' ARG . 7.2 t-20 45.15 18.23 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.674 0.75 . . . . 0.0 109.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 995' ' ' ARG . 6.9 mmt180 -23.8 87.33 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.627 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 2.1 Cg_endo -83.56 7.98 4.88 Favored 'Trans proline' 0 CA--C 1.569 2.234 0 C-N-CA 122.123 1.882 . . . . 0.0 115.623 176.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.1 Cg_endo -92.04 -154.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 CA-C-N 122.727 2.01 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.62 55.88 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.69 0.79 3.8 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.089 -1.007 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' 1003 ' ' ASP . 78.8 mt-10 -56.5 111.41 0.98 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.206 -0.934 . . . . 0.0 109.215 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' 1004 ' ' ASP . 42.8 t0 48.86 -172.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.202 -0.937 . . . . 0.0 109.444 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.43 ' H ' ' CG ' ' A' 1003 ' ' ASP . 0.7 OUTLIER 38.86 80.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.701 -0.625 . . . . 0.0 110.823 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.99 -91.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -80.16 -167.93 1.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.345 -0.847 . . . . 0.0 109.719 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -168.1 97.96 0.14 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.309 -1.112 . . . . 0.0 109.413 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 55.82 46.52 22.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -1.091 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 17.3 mtt 54.88 72.73 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.928 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -86.96 154.56 26.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.9 m -81.58 -163.75 0.68 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -1.132 . . . . 0.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -139.87 55.74 1.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.352 -0.842 . . . . 0.0 109.604 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -157.6 -81.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.26 -101.94 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.506 2.137 . . . . 0.0 111.907 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' B' ' 694' ' ' LEU . 24.1 t0 -165.76 -30.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.589 -0.694 . . . . 0.0 109.608 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 64.63 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.733 -0.604 . . . . 0.0 109.981 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.78 -51.92 58.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.113 -0.992 . . . . 0.0 110.961 -178.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.88 -54.19 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.81 -1.181 . . . . 0.0 110.402 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 700' ' ' VAL . 15.7 m -66.05 -39.72 85.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.911 -1.118 . . . . 0.0 109.857 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.53 ' CD1' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.2 -51.25 59.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.722 -1.237 . . . . 0.0 108.359 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.498 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -51.88 -50.77 60.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 108.771 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 28.3 t -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.247 -0.908 . . . . 0.0 109.629 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 696' ' ' VAL . 84.9 t -53.71 -52.64 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 984' ' ' VAL . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m -76.42 -23.87 53.99 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 mt -68.51 -28.59 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.292 -0.88 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.61 -34.2 70.86 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 108.389 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.71 -31.06 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.51 -0.744 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.09 -32.46 4.16 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.866 -1.147 . . . . 0.0 109.677 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.554 ' HB3' ' HZ1' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -68.68 -59.23 3.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.027 -1.045 . . . . 0.0 109.137 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 730' ' ' PHE . 24.9 tt0 -62.69 -48.4 79.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.196 -0.94 . . . . 0.0 108.534 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -51.84 -37.48 52.09 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.97 -54.08 6.7 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 729' ' ' LYS . . . . . 0.554 ' HZ1' ' HB3' ' B' ' 725' ' ' LYS . 1.1 mtmp? -52.83 -31.56 39.68 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.128 -0.982 . . . . 0.0 108.537 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.2 t80 -68.21 -56.76 7.57 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 731' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' B' ' 731' ' ' GLU . 0.5 OUTLIER -55.98 -38.79 70.9 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -52.81 -48.0 67.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.505 -0.747 . . . . 0.0 109.459 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.36 -52.92 63.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.394 -0.816 . . . . 0.0 109.614 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -51.9 -30.03 22.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.18 -0.95 . . . . 0.0 109.439 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.87 -50.52 12.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 109.583 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -54.91 -17.07 3.19 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.11 -43.76 41.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -0.929 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' B' ' 741' ' ' THR . 1.5 mppt? -56.98 -60.15 4.0 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.017 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -51.75 -21.47 2.79 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.48 ' O ' HG23 ' B' ' 741' ' ' THR . 19.2 t70 -97.6 17.82 16.91 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.368 0.604 . . . . 0.0 109.512 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 740' ' ' ASP . 33.2 p -157.46 -124.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 743' ' ' ASN . . . 61.47 47.28 6.78 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.434 -0.791 . . . . 0.0 108.899 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 742' ' ' ALA . 2.8 m-80 38.74 52.46 1.87 Allowed 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.252 0.549 . . . . 0.0 110.395 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.455 ' OD1' ' CD2' ' B' ' 746' ' ' LEU . 17.3 t-20 -46.74 108.56 0.87 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 108.854 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.15 3.69 7.6 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.0 1.8 . . . . 0.0 113.794 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.455 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.2 pp -93.15 -37.92 11.86 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.405 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.1 OUTLIER -78.71 -48.93 13.97 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.209 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 62.1 tttm -42.77 -36.74 1.55 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.415 0.626 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 2.1 tt0 -68.77 -69.74 0.31 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 164.94 30.44 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' B' ' 752' ' ' SER . 43.8 p 48.76 52.97 13.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.971 -1.081 . . . . 0.0 109.154 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 137.71 0.06 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.633 -0.667 . . . . 0.0 109.278 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' B' ' 750' ' ' ALA . 29.5 m -144.61 -31.02 0.44 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.196 -0.94 . . . . 0.0 109.784 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 45.3 t80 -76.25 7.28 4.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.914 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.5 t -89.22 1.2 56.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.426 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.07 43.31 2.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.585 -0.697 . . . . 0.0 109.396 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.815 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -46.13 160.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 109.697 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' B' ' 759' ' ' TYR . 0.6 OUTLIER -160.72 179.42 8.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.517 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.449 ' N ' ' OG1' ' B' ' 758' ' ' THR . 65.6 t80 -83.19 129.78 35.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.414 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -144.5 51.55 1.27 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.233 -0.917 . . . . 0.0 109.18 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 57.01 22.55 42.74 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.241 -1.152 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.931 0 N-CA-C 119.787 2.675 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 956' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 958' ' ' GLY . . . -162.07 -167.09 1.56 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -1.136 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.0 OUTLIER 49.99 -97.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.272 -0.893 . . . . 0.0 109.511 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 956' ' ' ALA . . . 161.54 -124.84 1.35 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 8.7 t 54.99 173.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -1.118 . . . . 0.0 109.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 962' ' ' ARG . 76.0 mm-40 -140.28 9.23 2.28 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.266 -0.897 . . . . 0.0 109.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.44 3.81 0.44 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.787 -0.57 . . . . 0.0 109.643 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 960' ' ' GLU . 73.5 mtm180 -66.4 -173.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.509 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -168.6 -50.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.5 mt 48.68 68.85 3.12 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.188 -0.945 . . . . 0.0 109.7 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 967' ' ' TRP . 51.9 Cg_exo -52.91 102.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.262 2.642 . . . . 0.0 112.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.788 HD12 ' H ' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.49 -24.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.381 -0.824 . . . . 0.0 110.169 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -51.88 -49.31 63.22 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -54.86 -56.13 22.79 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.275 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 98.9 t -59.5 -38.92 77.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 966' ' ' ILE . 4.3 tt -68.11 -50.09 57.08 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.802 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 974' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.539 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.606 HD22 HG22 ' B' ' 704' ' ' ILE . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 980' ' ' LEU . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER -60.23 -36.94 78.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -76.02 -39.74 55.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.659 -0.651 . . . . 0.0 109.747 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -6.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.973 -1.08 . . . . 0.0 108.511 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.12 -29.63 0.39 Allowed Glycine 0 N--CA 1.499 2.849 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 988' ' ' TRP . 67.5 t80 -85.52 -17.57 35.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.169 -1.195 . . . . 0.0 110.069 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.18 -16.37 27.8 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 122.192 0.996 . . . . 0.0 108.503 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -71.12 -42.02 69.77 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 997' ' ' ARG . 47.3 mtp85 -97.87 -132.99 0.23 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.676 0.751 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 997' ' ' ARG . 14.9 t-20 43.9 14.44 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.715 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 995' ' ' ARG . 0.7 OUTLIER -29.58 95.85 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 64.5 Cg_endo -84.61 7.49 5.15 Favored 'Trans proline' 0 CA--C 1.565 2.07 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 43.2 Cg_endo -89.22 -154.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 0 CA-C-N 122.444 1.909 . . . . 0.0 111.124 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1000 ' ' LEU . 0.3 OUTLIER -85.7 88.66 7.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.914 -1.116 . . . . 0.0 109.091 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -147.2 150.66 35.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.422 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' 1004 ' ' ASP . 5.9 mm-40 -53.37 112.57 0.92 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.371 -0.831 . . . . 0.0 109.621 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.07 30.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.316 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' 1002 ' ' GLU . 99.2 m-20 -89.89 115.39 27.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.91 -49.13 77.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.144 -0.972 . . . . 0.0 109.451 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.624 ' CD ' ' H ' ' A' 1006 ' ' GLU . 3.5 mp0 -76.41 172.5 12.84 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.419 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 75.1 -67.49 2.1 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.225 -1.162 . . . . 0.0 109.292 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.936 0 N-CA-C 119.774 2.67 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -172.98 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 11.6 ptp -163.28 -162.36 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.513 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 86.55 154.01 24.34 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 690' ' ' GLY . 80.4 p -171.22 38.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -1.092 . . . . 0.0 109.455 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt 47.84 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.373 -0.829 . . . . 0.0 110.038 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' B' ' 688' ' ' SER . . . -91.33 -79.18 1.39 Allowed Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -35.17 -86.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.814 2.342 . . . . 0.0 112.65 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' B' ' 694' ' ' LEU . 20.5 t0 -167.35 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.972 -1.08 . . . . 0.0 109.948 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.582 HG23 ' N ' ' B' ' 694' ' ' LEU . 15.0 tt -12.17 -49.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 C-N-CA 123.579 0.752 . . . . 0.0 112.77 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' B' ' 692' ' ' ASP . 24.5 tp -52.54 -41.88 63.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.937 -1.102 . . . . 0.0 109.34 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 695' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 692' ' ' ASP . 77.5 t -63.45 -54.47 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.027 . . . . 0.0 110.452 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 696' ' ' VAL . 6.4 m -71.79 -32.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 120.965 -1.085 . . . . 0.0 109.341 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.22 -48.47 78.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.082 -1.011 . . . . 0.0 108.488 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.1 tt -57.03 -49.49 75.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 29.5 t -56.62 -52.51 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.23 -53.39 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.802 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 711' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 980' ' ' LEU . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.58 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m -71.34 -25.34 62.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 37.9 mt -71.1 -30.76 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.0 109.684 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -53.33 -27.61 24.29 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.978 -1.076 . . . . 0.0 108.811 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -87.48 -38.7 15.84 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.37 -0.831 . . . . 0.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -44.31 -33.79 1.73 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.948 -1.095 . . . . 0.0 110.207 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -58.76 4.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.04 -1.037 . . . . 0.0 109.112 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 60.2 tt0 -62.31 -47.9 82.24 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -51.03 -39.18 55.27 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.28 -59.8 2.56 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -26.12 4.51 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.218 -0.926 . . . . 0.0 109.505 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 38.2 t80 -71.38 -60.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 109.598 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.36 -23.89 67.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.11 -0.994 . . . . 0.0 108.896 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -63.69 -45.9 87.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.417 -0.802 . . . . 0.0 109.09 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.46 -47.68 82.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -62.66 -22.26 66.33 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.363 -0.836 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.2 -48.27 13.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 109.557 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -57.81 -29.23 64.73 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.046 -1.034 . . . . 0.0 109.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.36 69.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.378 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 741' ' ' THR . 6.5 mmmt -62.55 -63.77 1.13 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.378 -0.826 . . . . 0.0 109.782 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -51.07 -20.53 1.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.5 t0 -94.56 19.65 9.53 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.462 0.648 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.507 ' N ' ' O ' ' B' ' 738' ' ' LYS . 1.9 m -169.16 -137.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.585 -0.697 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 56.22 -131.14 1.74 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.13 37.36 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.418 -0.801 . . . . 0.0 110.062 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' B' ' 742' ' ' ALA . 15.8 t-20 -137.58 66.0 49.03 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 110.192 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -92.86 22.25 0.61 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.653 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.412 HD23 ' H ' ' B' ' 746' ' ' LEU . 0.2 OUTLIER -85.62 -34.93 21.27 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.291 -0.881 . . . . 0.0 109.172 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -56.52 6.45 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -44.91 -39.73 5.69 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.351 0.596 . . . . 0.0 109.662 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -69.8 -57.66 4.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.398 -0.813 . . . . 0.0 109.317 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 52.56 31.72 10.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.341 -0.849 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 10.5 p -83.11 -85.31 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.225 1.012 . . . . 0.0 109.157 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 28.5 p -151.73 121.68 7.1 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.026 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 90.6 m -85.8 -79.75 0.24 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 0.0 109.274 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -136.97 7.43 2.93 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.743 0.782 . . . . 0.0 109.188 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.5 m -84.51 18.08 2.42 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.34 31.86 1.65 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.583 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.452 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.8 mp -62.02 146.76 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.18 172.81 15.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.945 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -84.19 145.9 28.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.898 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 -64.02 144.75 56.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.521 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -161.99 -79.03 0.03 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.257 -1.143 . . . . 0.0 109.492 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 955' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 957' ' ' MET . . . . . . . . 1 N--CA 1.531 4.971 0 N-CA-C 119.713 2.645 . . . . 0.0 119.713 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -75.83 38.52 0.16 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -1.162 . . . . 0.0 109.509 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.414 ' H ' ' C ' ' A' ' 955' ' ' GLY . 13.3 mtp -77.3 131.64 38.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.519 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 178.36 -63.28 0.08 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 958' ' ' GLY . 2.2 t 51.54 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.147 . . . . 0.0 109.503 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.516 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 17.5 mm-40 -74.35 5.97 4.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 3.5 mp0 -87.99 -18.01 29.97 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.756 -0.59 . . . . 0.0 109.504 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 47.24 56.33 7.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -152.12 -52.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 109.408 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.51 69.27 2.8 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.668 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.16 86.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.037 2.491 . . . . 0.0 112.012 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.7 mm -53.38 -22.05 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.32 -0.863 . . . . 0.0 109.991 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -53.15 -51.19 62.79 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -54.78 -52.05 63.82 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.94 -44.45 94.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -55.49 -50.18 70.59 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.718 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.735 HD22 HG22 ' B' ' 704' ' ' ILE . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.438 ' HG ' HD23 ' B' ' 712' ' ' LEU . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.542 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -62.01 -38.89 90.33 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -67.88 -45.48 74.35 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.8 0.809 . . . . 0.0 109.067 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 990' ' ' VAL . 25.3 t -57.11 -1.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 O-C-N 121.49 -0.756 . . . . 0.0 109.448 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.35 -28.77 0.41 Allowed Glycine 0 N--CA 1.501 3.031 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 988' ' ' TRP . 51.1 t80 -86.47 -16.55 36.73 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.674 -0.898 . . . . 0.0 109.685 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.0 -21.39 15.05 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.341 1.067 . . . . 0.0 108.455 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.87 -46.5 89.15 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 997' ' ' ARG . 47.7 mtp180 -86.2 -142.99 0.1 Allowed 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.58 0.705 . . . . 0.0 109.821 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 997' ' ' ARG . 8.7 t30 45.99 10.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.16 0.505 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 995' ' ' ARG . 1.6 mmt85 -32.12 96.93 0.1 OUTLIER Pre-proline 0 N--CA 1.494 1.763 0 C-N-CA 122.76 0.424 . . . . 0.0 111.933 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.9 Cg_endo -80.76 1.43 9.3 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.0 Cg_endo -92.0 -149.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 CA-C-N 122.534 1.941 . . . . 0.0 111.54 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 999' ' ' PRO . 11.8 mt -57.71 -110.69 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.096 -1.002 . . . . 0.0 109.496 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 51.81 72.92 0.35 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.391 -0.818 . . . . 0.0 109.56 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.588 ' H ' ' CD ' ' A' 1002 ' ' GLU . 22.4 mp0 -83.48 154.47 23.89 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.05 29.49 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.0 109.392 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -94.45 27.84 2.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.348 -0.845 . . . . 0.0 109.567 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -111.05 -85.13 0.56 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.96 116.89 2.2 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.282 -0.887 . . . . 0.0 109.482 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.01 24.76 0.03 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.2 tp10 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.295 -1.121 . . . . 0.0 109.526 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.728 2.651 . . . . 0.0 119.728 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -57.31 106.42 0.32 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -1.155 . . . . 0.0 109.457 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -169.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.496 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -64.78 -121.74 0.01 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 22.9 m -152.33 163.96 38.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.22 -1.165 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.54 -67.2 0.83 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.623 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -47.68 -82.17 0.04 OUTLIER Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.91 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 110.933 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -132.86 -96.49 0.31 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 9.9 tt -170.99 -33.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.508 ' O ' HD13 ' B' ' 694' ' ' LEU . 0.2 OUTLIER -63.04 -43.34 98.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.483 -0.761 . . . . 0.0 109.216 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.57 -54.24 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 110.024 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 696' ' ' VAL . 5.1 m -69.22 -37.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.101 -0.999 . . . . 0.0 109.462 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.1 tp -67.37 -43.99 80.07 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.127 -0.983 . . . . 0.0 108.888 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.11 -45.77 65.02 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.291 -0.881 . . . . 0.0 109.027 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 4.1 t -57.2 -52.52 64.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.309 -0.869 . . . . 0.0 109.659 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.77 -35.36 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 979' ' ' LEU . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 984' ' ' VAL . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.414 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.405 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.535 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m -70.27 -41.23 73.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.6 -23.97 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.778 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -70.37 -33.02 70.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.16 -28.87 22.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.507 -0.745 . . . . 0.0 110.082 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -45.35 -33.47 2.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.102 -0.999 . . . . 0.0 109.972 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -58.98 4.2 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.128 -0.982 . . . . 0.0 108.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.7 -46.31 86.07 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -52.5 -38.05 58.69 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.37 -56.16 4.78 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -29.5 11.98 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.155 -0.966 . . . . 0.0 108.803 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -70.24 -60.37 2.32 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.05 -29.72 68.72 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.381 0.61 . . . . 0.0 109.395 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.77 -44.44 90.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 109.515 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -61.16 -47.17 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -62.97 -22.82 67.1 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.233 -0.917 . . . . 0.0 109.628 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -74.81 -47.89 28.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.946 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -62.51 -41.44 98.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.143 -0.973 . . . . 0.0 110.0 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.78 -43.44 27.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.047 -1.033 . . . . 0.0 109.456 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -70.12 -57.67 4.68 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.783 0.802 . . . . 0.0 109.791 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' B' ' 741' ' ' THR . 4.3 t-105 -51.07 -21.79 2.06 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.86 14.21 0.71 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.475 ' H ' ' C ' ' B' ' 739' ' ' TRP . 55.2 p -153.95 -150.42 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 56.95 107.06 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.232 -0.917 . . . . 0.0 109.206 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 743' ' ' ASN . 28.7 t-20 56.06 22.81 6.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 110.306 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -138.16 65.77 44.09 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -92.93 21.96 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 123.001 2.467 . . . . 0.0 112.728 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.17 -37.38 23.75 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.298 -0.876 . . . . 0.0 108.988 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -57.15 3.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -43.95 -31.06 0.8 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.296 0.569 . . . . 0.0 109.619 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.55 -61.8 2.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.372 -0.83 . . . . 0.0 108.97 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -170.29 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.45 ' O ' ' OG1' ' B' ' 751' ' ' THR . 0.5 OUTLIER -179.99 31.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.464 -0.773 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 1.9 t 176.34 160.9 0.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.067 -1.021 . . . . 0.0 109.64 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.0 m -157.27 -84.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 755' ' ' THR . 12.4 t80 -77.54 -155.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.437 -0.789 . . . . 0.0 109.226 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.415 ' C ' ' O ' ' B' ' 754' ' ' PHE . 10.2 t 38.34 35.83 0.11 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.688 -0.632 . . . . 0.0 110.49 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -124.3 28.76 6.58 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.625 -0.672 . . . . 0.0 109.414 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.698 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.2 mp -80.79 111.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 760' ' ' ARG . 49.1 p -61.21 166.66 3.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' B' ' 761' ' ' GLY . 1.4 p90 -75.76 24.33 0.12 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.171 -0.956 . . . . 0.0 109.395 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 758' ' ' THR . 25.8 mtp180 36.86 32.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.305 0.574 . . . . 0.0 110.548 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 759' ' ' TYR . . . 68.98 -129.54 24.05 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.252 -1.146 . . . . 0.0 109.466 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.919 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.97 69.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.213 -1.169 . . . . 0.0 109.403 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 35.8 mtm -81.06 -129.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.362 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -79.38 -78.28 0.87 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 60.1 p 49.23 89.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -1.164 . . . . 0.0 109.414 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.513 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 21.3 mp0 -79.22 6.21 10.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 2.2 mp0 -71.11 -37.96 72.34 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.791 -0.568 . . . . 0.0 109.559 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -77.35 161.1 28.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.675 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -149.1 9.07 0.75 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.256 -0.903 . . . . 0.0 109.556 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 14.6 mt 44.98 66.93 4.61 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.162 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.57 82.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 123.025 2.483 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.7 mm -51.79 -22.03 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 120.965 -1.084 . . . . 0.0 109.69 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -54.56 -50.38 68.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -55.14 -55.4 31.61 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.058 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 10.1 t -59.81 -39.52 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 966' ' ' ILE . 5.5 tt -59.99 -50.66 72.88 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.665 HD22 HG22 ' B' ' 704' ' ' ILE . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' B' ' 712' ' ' LEU . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.429 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.567 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.568 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -66.13 -35.16 79.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 mptt -75.04 -40.76 60.17 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.706 0.765 . . . . 0.0 109.019 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -4.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.11 -0.994 . . . . 0.0 108.759 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.17 -29.58 0.33 Allowed Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.6 t80 -86.39 -16.54 36.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.235 -1.156 . . . . 0.0 109.855 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -14.19 24.67 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.304 1.05 . . . . 0.0 108.592 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -76.39 -43.8 38.99 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.02 0.914 . . . . 0.0 108.847 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 997' ' ' ARG . 76.5 mtp180 -79.94 -0.16 33.9 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.818 0.818 . . . . 0.0 111.697 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 997' ' ' ARG . 22.8 t-20 -51.03 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 O-C-N 121.756 -0.59 . . . . 0.0 109.547 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.563 ' H ' ' C ' ' A' ' 995' ' ' ARG . 6.4 mmt180 -29.01 95.23 0.06 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.05 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.9 Cg_endo -90.77 15.25 1.84 Allowed 'Trans proline' 0 CA--C 1.564 2.023 0 C-N-CA 121.854 1.703 . . . . 0.0 116.027 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 41.2 Cg_endo -88.07 -156.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 CA-C-N 122.223 1.83 . . . . 0.0 111.936 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.0 tp -93.31 48.92 1.35 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.128 -0.983 . . . . 0.0 109.018 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1002 ' ' GLU . 6.6 tm-20 -75.84 6.47 5.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.154 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1001 ' ' GLU . 25.3 mt-10 -59.04 -145.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.865 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -42.96 108.6 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.369 -0.832 . . . . 0.0 110.091 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -167.36 90.73 0.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.08 -118.45 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.353 -0.842 . . . . 0.0 109.761 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.51 152.94 24.59 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 162.62 154.78 7.74 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.5 tp10 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.238 -1.154 . . . . 0.0 109.657 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.813 2.685 . . . . 0.0 119.813 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -59.54 156.6 13.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -1.142 . . . . 0.0 109.497 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 686' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 686' ' ' MET . 0.0 OUTLIER -163.57 156.52 18.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.287 -0.883 . . . . 0.0 109.451 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 58.57 -136.56 50.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.7 m -158.51 109.57 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -1.156 . . . . 0.0 109.374 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -82.42 17.92 1.6 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.531 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.15 -64.6 2.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.1 -100.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.882 2.388 . . . . 0.0 111.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' B' ' 694' ' ' LEU . 36.1 t0 -157.26 -23.73 0.09 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 110.231 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.542 HG22 ' O ' ' B' ' 692' ' ' ASP . 17.5 tt 48.96 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.648 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.99 -55.01 5.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.412 -1.43 . . . . 0.0 109.826 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.43 -53.92 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 111.643 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 8.2 m -58.17 -38.76 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.844 -1.16 . . . . 0.0 110.427 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.73 -43.69 94.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.898 -1.126 . . . . 0.0 108.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.85 -41.78 74.85 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.915 . . . . 0.0 108.711 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 10.4 t -63.42 -46.58 85.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.232 -0.918 . . . . 0.0 108.987 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.12 -51.39 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.368 -0.832 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.665 HG22 HD22 ' A' ' 979' ' ' LEU . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.452 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.429 ' NE1' HG13 ' A' ' 984' ' ' VAL . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.568 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m -73.58 -30.21 62.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.15 -39.81 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.977 -1.077 . . . . 0.0 109.862 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.62 -32.2 50.25 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.881 -1.137 . . . . 0.0 108.412 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.58 -30.7 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -46.09 -33.07 3.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.9 -1.125 . . . . 0.0 109.771 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.39 3.18 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.073 -1.017 . . . . 0.0 109.24 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' B' ' 730' ' ' PHE . 47.7 tt0 -62.84 -47.87 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -51.41 -38.94 56.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.47 -59.74 2.59 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.71 -27.69 5.11 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.3 t80 -69.14 -60.88 2.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.252 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.43 -24.64 66.48 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.76 -0.588 . . . . 0.0 109.456 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -63.45 -46.22 87.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.55 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.91 -40.4 72.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -68.96 -26.18 64.92 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.2 -0.937 . . . . 0.0 109.5 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.01 44.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' B' ' 740' ' ' ASP . 88.9 mtt180 -66.35 -39.19 89.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.262 -0.899 . . . . 0.0 109.71 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.23 31.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 741' ' ' THR . 11.0 mmtt -66.73 -64.08 0.93 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.371 -0.83 . . . . 0.0 109.698 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -51.34 -21.24 2.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' B' ' 736' ' ' ARG . 28.2 t0 -84.67 18.62 2.28 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.603 0.716 . . . . 0.0 109.103 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 738' ' ' LYS . 62.4 p -153.86 -148.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 55.85 -132.89 1.6 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.058 -1.026 . . . . 0.0 108.43 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.05 34.98 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.374 -0.829 . . . . 0.0 109.87 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' B' ' 742' ' ' ALA . 53.1 t30 -138.77 67.93 43.24 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.046 -1.034 . . . . 0.0 109.779 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -93.14 25.78 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 123.218 2.612 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.3 pp -44.03 -39.66 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.645 -0.66 . . . . 0.0 109.903 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' B' ' 749' ' ' GLU . 1.4 t80 -79.56 -65.66 0.97 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -42.07 -24.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.268 0.556 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 747' ' ' TYR . 3.2 tp10 -79.17 -64.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -177.21 -7.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.669 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.24 40.73 14.2 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.755 -1.216 . . . . 0.0 109.073 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.1 m 61.09 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.403 ' C ' ' H ' ' B' ' 755' ' ' THR . 55.2 m -160.88 -33.69 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.407 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 57.3 t80 -75.82 10.81 1.62 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.388 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 755' ' ' THR . 5.1 t -89.98 14.79 11.34 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.685 -0.635 . . . . 0.0 109.804 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -141.84 57.54 1.49 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.961 . . . . 0.0 109.688 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.818 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.5 mp -49.23 120.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.466 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 17.8 p -82.23 147.05 29.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.422 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -48.56 137.11 12.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.201 -0.937 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -76.29 -176.41 3.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.908 . . . . 0.0 109.446 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -49.42 -33.34 16.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.259 -1.142 . . . . 0.0 109.434 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.729 2.652 . . . . 0.0 119.729 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 956' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 957' ' ' MET . . . -162.77 -5.65 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.421 ' H ' ' H ' ' A' ' 956' ' ' ALA . 28.0 ttt -162.22 -21.08 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 0.0 109.46 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -174.27 163.71 34.57 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 961' ' ' GLU . 23.2 t -163.94 166.42 21.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.22 6.77 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.902 . . . . 0.0 109.358 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 959' ' ' SER . 29.3 mt-10 -89.59 -28.19 19.72 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.671 -0.643 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -76.09 112.77 12.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.543 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -85.3 17.24 3.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.954 . . . . 0.0 109.583 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.444 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 10.4 mt 50.46 63.87 9.26 Favored Pre-proline 0 C--N 1.304 -1.394 0 O-C-N 121.269 -0.894 . . . . 0.0 109.269 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 71.7 Cg_endo -89.62 64.64 2.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.118 2.545 . . . . 0.0 112.254 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.97 -21.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.493 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 967' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.0 OUTLIER -50.79 -49.61 57.95 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -53.57 -52.01 61.13 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.369 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.13 -45.0 97.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.97 -49.31 78.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.666 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.755 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.738 HD22 HG22 ' B' ' 704' ' ' ILE . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 985' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 989' ' ' LYS . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.05 -34.12 77.66 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.6 mptt -79.95 -36.15 36.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.64 -0.662 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -6.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 O-C-N 120.873 -1.142 . . . . 0.0 108.713 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.83 -29.54 0.3 Allowed Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -85.21 -16.98 38.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.156 -1.202 . . . . 0.0 110.11 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -14.42 30.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 122.342 1.067 . . . . 0.0 108.418 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -68.67 -40.76 79.98 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -99.78 107.45 19.5 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.782 0.801 . . . . 0.0 109.185 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -123.46 34.54 5.07 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 7.6 mmt180 -108.46 91.28 8.2 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.728 -0.607 . . . . 0.0 112.342 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 39.7 Cg_endo -89.64 14.63 2.12 Favored 'Trans proline' 0 CA--C 1.567 2.139 0 C-N-CA 122.01 1.806 . . . . 0.0 115.55 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 24.2 Cg_endo -88.42 -107.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.344 0 CA-C-N 122.275 1.848 . . . . 0.0 111.491 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.38 59.65 1.73 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -49.94 116.72 1.94 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -91.68 79.45 5.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.7 83.48 4.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.465 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.513 ' O ' ' C ' ' A' 1005 ' ' GLU . 1.1 p30 -84.96 -165.04 1.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' 1004 ' ' ASP . 40.3 mt-10 12.44 -116.04 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 123.171 0.589 . . . . 0.0 112.506 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.1 -79.05 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 109.471 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -135.15 -41.38 0.14 Allowed Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 109.321 179.884 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.49 134.78 51.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -1.134 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 14.6 mmt 52.47 -143.04 0.72 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 88.36 -146.61 19.64 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 1.9 t -144.9 128.09 16.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.188 -1.184 . . . . 0.0 109.164 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.402 ' HB3' ' HZ2' ' B' ' 689' ' ' LYS . 16.5 mtpp -88.97 -49.09 6.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.242 -0.911 . . . . 0.0 110.058 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -46.54 -63.11 3.24 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.7 Cg_exo -55.25 -131.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.469 2.113 . . . . 0.0 112.075 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.674 ' O ' HG22 ' B' ' 693' ' ' ILE . 34.5 t0 -159.05 -26.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.314 -0.866 . . . . 0.0 109.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.674 HG22 ' O ' ' B' ' 692' ' ' ASP . 3.4 tp 51.23 -4.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.088 0.47 . . . . 0.0 111.107 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.29 -54.14 7.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.438 -1.414 . . . . 0.0 109.252 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.78 -53.2 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.446 -0.784 . . . . 0.0 110.39 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.554 HG23 ' N ' ' B' ' 697' ' ' LEU . 5.3 m -60.17 -46.02 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.079 -1.013 . . . . 0.0 109.971 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 696' ' ' VAL . 11.9 tp -57.53 -41.86 81.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.111 -0.993 . . . . 0.0 109.391 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.0 OUTLIER -59.78 -41.65 91.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.245 -0.91 . . . . 0.0 109.313 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 35.5 p -64.05 -52.54 58.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.146 -0.971 . . . . 0.0 109.855 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t -63.27 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.125 -0.985 . . . . 0.0 109.254 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.755 HG23 ' HA2' ' A' ' 976' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.556 HD23 ' C ' ' B' ' 712' ' ' LEU . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.827 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m -76.86 -36.41 56.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.69 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.021 -1.049 . . . . 0.0 110.15 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -51.91 -32.14 31.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.728 -1.232 . . . . 0.0 108.386 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -87.99 -33.83 18.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.497 -0.752 . . . . 0.0 110.724 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -45.99 -32.41 2.75 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.945 -1.097 . . . . 0.0 109.745 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -58.46 4.49 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.174 -0.954 . . . . 0.0 108.95 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 730' ' ' PHE . 40.6 tt0 -61.68 -49.35 76.86 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.8 -42.66 36.7 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.03 1.55 Allowed 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -24.4 1.79 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.396 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' B' ' 726' ' ' GLU . 33.9 t80 -67.05 -61.23 2.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.194 -0.941 . . . . 0.0 109.684 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.61 -23.54 63.53 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.612 -0.68 . . . . 0.0 109.826 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.0 -40.19 94.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -76.67 -38.73 54.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.254 -0.904 . . . . 0.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -64.84 -22.99 67.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.066 -1.021 . . . . 0.0 109.797 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -84.31 -47.14 11.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.958 . . . . 0.0 110.061 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 736' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' B' ' 740' ' ' ASP . 52.9 mtt85 -78.45 -24.3 46.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.28 -44.66 16.72 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.057 -1.027 . . . . 0.0 109.703 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 740' ' ' ASP . 0.0 OUTLIER -75.12 -62.63 1.49 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.805 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -50.93 -21.07 1.54 Allowed 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.2 t70 -75.7 7.98 3.36 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.734 0.778 . . . . 0.0 109.137 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.5 HG22 ' H ' ' B' ' 742' ' ' ALA . 1.6 m -169.81 -141.34 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.6 -133.49 1.7 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -67.49 37.71 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.33 -0.856 . . . . 0.0 109.867 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' B' ' 742' ' ' ALA . 12.4 t-20 -137.43 66.02 50.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.008 . . . . 0.0 110.124 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -93.3 22.57 0.56 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 123.039 2.493 . . . . 0.0 112.407 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.711 HD12 ' H ' ' B' ' 747' ' ' TYR . 0.2 OUTLIER -52.04 -22.74 4.33 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.442 -0.787 . . . . 0.0 109.353 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.711 ' H ' HD12 ' B' ' 746' ' ' LEU . 2.2 t80 -80.45 -69.83 0.57 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.665 0.745 . . . . 0.0 108.998 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -44.2 -31.16 0.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.753 -0.592 . . . . 0.0 109.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.57 -55.34 11.97 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.277 -0.889 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' B' ' 751' ' ' THR . . . 61.1 21.69 12.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.554 -0.716 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' B' ' 750' ' ' ALA . 17.5 p 47.03 44.98 15.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 752' ' ' SER . 53.3 p -155.49 81.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.424 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.7 m -153.45 -47.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.57 161.5 5.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.406 -0.809 . . . . 0.0 109.839 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.781 ' O ' HG22 ' B' ' 755' ' ' THR . 8.0 m 44.74 53.99 6.95 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.126 0.965 . . . . 0.0 109.484 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.455 ' N ' HD12 ' B' ' 757' ' ' ILE . 25.9 t-20 -90.36 11.13 22.39 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.072 -1.018 . . . . 0.0 109.63 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 1.018 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.1 mp -88.81 89.39 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 0.0 109.388 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.477 HG22 ' O ' ' B' ' 758' ' ' THR . 27.8 m -162.19 6.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.34 30.87 0.67 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.655 -0.653 . . . . 0.0 109.378 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' B' ' 762' ' ' THR . 32.6 mtp180 -111.72 85.81 2.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.628 -0.67 . . . . 0.0 109.254 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -74.51 27.96 1.04 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.477 ' H ' ' C ' ' B' ' 760' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.201 -1.176 . . . . 0.0 109.453 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.993 0 N-CA-C 119.811 2.684 . . . . 0.0 119.811 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.92 48.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -1.157 . . . . 0.0 109.439 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 13.3 mmt 50.04 72.32 0.34 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.88 . . . . 0.0 109.432 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 958' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 959' ' ' SER . . . -175.01 154.0 17.13 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 958' ' ' GLY . 1.2 t 169.86 172.42 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -1.093 . . . . 0.0 109.202 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 959' ' ' SER . 28.4 mt-10 -137.81 4.69 2.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -122.94 -33.46 3.34 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -50.75 176.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.357 -0.839 . . . . 0.0 109.646 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.09 32.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.417 -0.802 . . . . 0.0 108.973 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.0 mt 46.56 66.6 5.33 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.21 77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.074 2.516 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 964' ' ' ILE . 2.1 mt -67.55 -26.04 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.543 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -49.91 -50.88 44.61 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.94 1.352 . . . . 0.0 107.368 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.58 ' HE1' HD23 ' B' ' 697' ' ' LEU . 0.8 OUTLIER -53.0 -58.24 7.66 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.303 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 969' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.9 t -60.99 -40.53 85.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.3 tt -59.01 -49.21 78.75 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 969' ' ' VAL . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 974' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 711' ' ' ALA . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 981' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.857 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.83 -35.98 82.86 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.1 tptt -67.27 -41.76 84.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.958 0.885 . . . . 0.0 108.633 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 990' ' ' VAL . 6.7 t -55.86 -2.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.53 -0.732 . . . . 0.0 109.22 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.08 -27.13 0.17 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 988' ' ' TRP . 52.8 t80 -86.13 -14.19 44.9 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.513 -0.993 . . . . 0.0 109.681 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.48 -14.44 23.7 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 122.518 1.152 . . . . 0.0 107.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -56.05 -40.81 74.07 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -85.96 -135.59 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.708 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.4 t30 46.4 25.58 0.4 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 122.139 0.971 . . . . 0.0 109.271 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.468 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 5.3 mmt85 -107.32 95.74 14.18 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.703 -0.623 . . . . 0.0 111.485 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 32.7 Cg_endo -90.82 15.92 1.71 Allowed 'Trans proline' 0 CA--C 1.565 2.031 0 C-N-CA 121.992 1.795 . . . . 0.0 115.741 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1001 ' ' GLU . 54.9 Cg_endo -84.86 -152.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 CA-C-N 122.197 1.82 . . . . 0.0 110.981 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.1 tp -68.68 56.33 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.877 -1.14 . . . . 0.0 109.118 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 999' ' ' PRO . 22.7 tt0 -131.8 -69.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.476 -0.765 . . . . 0.0 109.485 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.88 37.93 0.07 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' 1001 ' ' GLU . 37.6 t70 -100.63 63.02 1.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.33 -0.856 . . . . 0.0 109.364 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' 1006 ' ' GLU . 10.1 t0 -159.29 137.46 10.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.206 -0.934 . . . . 0.0 109.563 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' 1005 ' ' GLU . 10.8 mp0 -78.88 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.315 -0.866 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' 1004 ' ' ASP . 44.9 mt-10 -69.95 -176.32 1.09 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.271 -0.893 . . . . 0.0 109.439 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.54 48.14 3.78 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.273 -1.133 . . . . 0.0 109.529 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.988 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.09 73.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -1.169 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.6 ttt -63.12 133.5 54.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.198 -0.939 . . . . 0.0 109.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 179.34 165.54 33.69 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 10.3 m -74.05 108.2 6.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.294 -1.121 . . . . 0.0 109.439 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -77.57 -4.64 46.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.42 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -76.88 0.33 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.37 -103.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.647 2.232 . . . . 0.0 111.717 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 694' ' ' LEU . 18.7 t0 -163.55 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.544 HG22 ' O ' ' B' ' 692' ' ' ASP . 17.9 tt 48.66 -6.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.08 -53.38 7.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.547 -1.346 . . . . 0.0 109.155 179.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.68 -53.43 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.457 -0.777 . . . . 0.0 110.734 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.578 HG23 ' N ' ' B' ' 697' ' ' LEU . 17.0 m -56.3 -46.85 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.95 -1.094 . . . . 0.0 110.128 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.58 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.2 OUTLIER -56.83 -42.79 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.019 . . . . 0.0 109.444 -179.733 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.496 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.8 tt -53.45 -44.44 68.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 109.02 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 38.0 t -66.2 -44.76 82.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 109.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t -53.52 -44.76 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.358 -0.839 . . . . 0.0 110.043 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.511 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 711' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 980' ' ' LEU . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.46 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.46 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.857 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m -58.63 -24.89 62.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.0 mt -72.63 -47.33 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.107 -0.996 . . . . 0.0 109.42 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -52.09 -27.63 14.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.74 -1.225 . . . . 0.0 108.041 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -87.96 -26.12 22.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.707 -0.62 . . . . 0.0 110.47 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -46.64 -31.36 2.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.863 -1.148 . . . . 0.0 109.539 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -59.29 3.03 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.102 -0.999 . . . . 0.0 109.13 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 730' ' ' PHE . 7.7 tm-20 -63.07 -48.72 77.44 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -50.92 -40.01 56.0 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.76 -61.28 1.84 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -23.79 2.02 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.425 -0.797 . . . . 0.0 109.204 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' B' ' 726' ' ' GLU . 56.0 t80 -70.07 -60.27 2.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.464 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.85 -25.83 68.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.886 . . . . 0.0 109.487 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -65.89 -49.87 66.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 0.0 109.513 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -59.98 -42.97 95.32 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.361 -0.837 . . . . 0.0 109.656 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.02 -35.78 78.85 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.16 -0.963 . . . . 0.0 109.749 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -73.6 -37.83 65.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.0 109.657 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.05 -40.67 52.83 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -44.96 -36.67 3.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.319 -0.863 . . . . 0.0 109.912 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 741' ' ' THR . 3.0 mmpt? -72.0 -66.21 0.67 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.304 -0.872 . . . . 0.0 109.921 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -51.09 -20.01 1.3 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 741' ' ' THR . 45.0 t0 -66.25 -24.42 66.58 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.706 0.765 . . . . 0.0 109.43 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 740' ' ' ASP . 20.8 p -160.83 145.11 13.78 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.415 ' H ' ' H ' ' B' ' 743' ' ' ASN . . . -176.91 -13.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.017 0.913 . . . . 0.0 108.965 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.533 ' O ' ' C ' ' B' ' 744' ' ' ASN . 0.5 OUTLIER -173.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.533 ' C ' ' O ' ' B' ' 743' ' ' ASN . 16.7 t-20 -2.45 76.52 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.595 0 C-N-CA 123.324 0.65 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.11 11.16 3.42 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.576 2.184 . . . . 0.0 113.294 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.488 HD23 ' H ' ' B' ' 746' ' ' LEU . 0.2 OUTLIER -86.9 -35.39 18.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.026 . . . . 0.0 108.969 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -89.19 -49.43 6.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 747' ' ' TYR . 85.2 tttt -41.16 -36.38 0.73 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.474 0.654 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.8 mt-10 -78.29 -70.6 0.48 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 162.69 27.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 752' ' ' SER . 33.6 p 45.92 26.04 0.36 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 751' ' ' THR . 1.1 t 164.17 109.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 66.5 m -152.46 -74.2 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.684 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 756' ' ' ASN . 6.8 t80 -57.86 145.27 35.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 109.439 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 754' ' ' PHE . 9.2 t 36.83 25.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.153 0.502 . . . . 0.0 110.839 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 754' ' ' PHE . 9.1 t-20 -143.66 38.0 1.34 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.191 -0.943 . . . . 0.0 109.802 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.851 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.5 mp -48.43 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.001 . . . . 0.0 109.435 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.563 HG22 ' H ' ' B' ' 759' ' ' TYR . 1.1 m -74.26 -149.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.35 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.563 ' H ' HG22 ' B' ' 758' ' ' THR . 62.3 t80 -82.62 28.34 0.48 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.4 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -98.5 130.28 45.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.437 -0.79 . . . . 0.0 109.391 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -163.3 140.23 6.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.476 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.978 0 N-CA-C 119.722 2.649 . . . . 0.0 119.722 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -76.15 -67.02 0.72 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.322 -1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.4 OUTLIER -63.21 -2.56 1.42 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.61 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -72.84 -37.81 56.81 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 49.3 p -161.03 132.07 5.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -1.165 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -87.0 9.08 20.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 963' ' ' ALA . 50.8 mt-10 -83.56 -77.07 0.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.756 -0.59 . . . . 0.0 109.729 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.616 ' O ' ' HB3' ' A' ' 963' ' ' ALA . 53.4 ttp85 62.12 -10.37 0.08 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.414 -0.804 . . . . 0.0 110.47 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 962' ' ' ARG . . . 73.69 -31.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.187 -0.945 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.505 ' H ' ' C ' ' A' ' 962' ' ' ARG . 11.7 mt 47.66 65.43 7.02 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.85 . . . . 0.0 109.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -88.24 77.94 1.46 Allowed 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 123.206 2.604 . . . . 0.0 112.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.2 mt -52.39 -23.04 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.464 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -52.63 54.65 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.88 -50.89 69.41 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.614 -1.176 . . . . 0.0 108.182 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 16.8 t -60.1 -43.58 93.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -58.0 -49.8 75.59 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 978' ' ' LEU . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.735 HG13 ' CD1' ' B' ' 715' ' ' TRP . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.2 -38.11 89.87 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -67.3 -41.09 85.94 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.824 0.821 . . . . 0.0 109.03 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 990' ' ' VAL . 11.7 t -56.6 -2.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.379 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.99 -28.88 0.13 Allowed Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 988' ' ' TRP . 56.2 t80 -81.29 -18.26 46.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.594 -0.945 . . . . 0.0 109.721 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.31 -10.21 36.24 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 122.509 1.147 . . . . 0.0 108.016 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.84 -40.52 40.08 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.514 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.648 ' C ' ' H ' ' A' ' 997' ' ' ARG . 12.9 mtp-105 -92.75 -43.06 9.24 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.82 0.819 . . . . 0.0 110.782 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 997' ' ' ARG . 35.4 t30 -67.03 18.57 0.02 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -24.83 92.76 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.93 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.465 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 85.1 Cg_endo -75.05 -6.01 17.49 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 N-CA-C 116.452 1.674 . . . . 0.0 116.452 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 23.6 Cg_endo -93.53 -160.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 CA-C-N 122.598 1.964 . . . . 0.0 111.8 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.9 81.44 3.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.231 -0.918 . . . . 0.0 108.626 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -45.5 155.92 0.14 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.216 -0.928 . . . . 0.0 110.054 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' 1003 ' ' ASP . 74.2 mt-10 -82.66 56.81 3.49 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.303 -0.873 . . . . 0.0 109.319 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' 1002 ' ' GLU . 17.2 t0 59.17 152.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.392 -0.818 . . . . 0.0 110.027 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' 1003 ' ' ASP . 7.9 p-10 -73.89 -141.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.27 -0.893 . . . . 0.0 109.644 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' 1006 ' ' GLU . 19.1 tt0 53.3 -122.65 2.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.57 -0.706 . . . . 0.0 109.729 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' 1005 ' ' GLU . 29.7 mt-10 33.4 49.5 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.522 0.677 . . . . 0.0 110.729 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 161.32 -93.98 0.12 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.241 -1.152 . . . . 0.0 109.481 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 684' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 685' ' ' ALA . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.69 2.636 . . . . 0.0 119.69 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 685' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 684' ' ' GLY . . . 57.55 108.89 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -1.093 . . . . 0.0 109.529 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.1 mtt 52.93 -142.12 0.81 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -168.85 -155.55 9.79 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 59.5 p -67.47 173.83 3.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 0.0 109.522 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.44 -7.8 59.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.894 . . . . 0.0 109.181 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -171.1 -56.08 0.04 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.468 ' O ' ' O ' ' B' ' 690' ' ' GLY . 76.8 Cg_exo -51.62 -127.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.547 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' B' ' 694' ' ' LEU . 43.0 t0 -156.51 -35.1 0.08 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.019 -1.051 . . . . 0.0 109.448 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 693' ' ' ILE . 0.2 OUTLIER 62.29 -12.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.701 -0.625 . . . . 0.0 110.015 179.711 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.74 -54.62 6.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.851 -1.156 . . . . 0.0 110.494 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.39 -54.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.009 . . . . 0.0 111.021 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 697' ' ' LEU . 26.7 m -55.84 -37.89 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.002 -1.062 . . . . 0.0 109.88 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.497 ' O ' ' SD ' ' B' ' 701' ' ' MET . 63.3 tp -57.55 -56.39 22.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.14 -31.69 32.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.192 -0.943 . . . . 0.0 109.737 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 5.0 m -63.74 -52.18 61.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.0 109.912 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 700' ' ' VAL . 0.1 OUTLIER -63.85 -31.63 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.124 -0.985 . . . . 0.0 108.985 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.459 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.735 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 718' ' ' LEU . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.837 HD11 ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m -75.89 -25.19 55.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 26.8 mt -71.09 -44.31 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.107 -0.995 . . . . 0.0 109.093 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -51.35 -26.23 7.32 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.861 -1.149 . . . . 0.0 108.308 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -87.56 -33.83 18.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.621 -0.674 . . . . 0.0 110.28 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -46.55 -34.86 5.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.918 -1.114 . . . . 0.0 109.293 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -58.66 4.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.279 -0.888 . . . . 0.0 108.754 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 730' ' ' PHE . 57.8 tt0 -61.58 -49.08 78.07 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -50.5 -41.24 53.18 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.82 -23.57 1.94 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.398 -0.814 . . . . 0.0 109.21 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 726' ' ' GLU . 35.2 t80 -68.92 -61.23 1.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.953 . . . . 0.0 109.303 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.2 -25.05 66.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.712 -0.618 . . . . 0.0 109.627 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -72.0 -42.89 65.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 109.277 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.55 -40.49 94.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 0.0 109.061 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.79 -31.39 72.33 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.323 -0.86 . . . . 0.0 109.461 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.75 26.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 109.871 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.86 -46.02 39.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.04 45.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.4 mmmt -63.24 -63.52 1.17 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.476 -0.765 . . . . 0.0 110.011 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -51.55 -20.94 2.17 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.473 ' O ' HG23 ' B' ' 741' ' ' THR . 20.4 t70 -91.18 12.01 21.46 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.597 0.713 . . . . 0.0 109.34 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.473 HG23 ' O ' ' B' ' 740' ' ' ASP . 37.6 p -157.9 -127.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 56.24 -135.61 1.23 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -77.56 40.27 0.29 Allowed 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.453 -0.779 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' B' ' 744' ' ' ASN . 22.9 p-10 -46.79 111.48 1.57 Allowed Pre-proline 0 C--N 1.314 -0.978 0 O-C-N 120.866 -1.146 . . . . 0.0 109.607 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.71 15.08 2.13 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.074 1.849 . . . . 0.0 112.235 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 6.9 mt -79.43 -45.95 18.46 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.629 -0.67 . . . . 0.0 109.384 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER -93.86 -40.37 10.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.845 . . . . 0.0 108.75 -179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' B' ' 747' ' ' TYR . 71.3 tttt -38.78 -28.82 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.386 0.613 . . . . 0.0 109.841 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.7 tt0 -70.06 -75.37 0.12 Allowed 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 164.93 -70.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' B' ' 752' ' ' SER . 3.2 t -174.54 51.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.375 -0.828 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 103.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.466 -0.772 . . . . 0.0 109.508 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.495 ' C ' ' H ' ' B' ' 755' ' ' THR . 57.0 m -77.42 -23.84 50.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.52 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.0 t80 -68.13 7.92 0.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.798 . . . . 0.0 109.737 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 753' ' ' THR . 3.3 m -134.62 15.32 3.68 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -131.63 51.13 2.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.297 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.988 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.1 mp -79.69 54.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.43 ' O ' ' O ' ' B' ' 757' ' ' ILE . 17.0 p 51.71 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.0 109.461 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -132.58 46.08 2.67 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.469 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -75.05 129.9 38.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -76.46 90.16 0.93 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.323 -1.104 . . . . 0.0 109.491 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.963 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -159.3 107.83 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -1.146 . . . . 0.0 109.4 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.9 mtt -78.26 -21.05 50.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.0 109.536 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.34 -167.11 36.78 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 6.2 m -162.29 -175.18 4.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -1.183 . . . . 0.0 109.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 960' ' ' GLU . 0.7 OUTLIER -77.09 6.37 6.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.324 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.31 25.45 1.01 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -49.24 141.07 8.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.908 . . . . 0.0 109.532 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.03 -46.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 48.09 68.45 3.51 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.214 -0.929 . . . . 0.0 109.899 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -50.99 105.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 123.102 2.535 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.5 mm -52.84 -23.16 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.258 -0.901 . . . . 0.0 109.763 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -51.2 67.29 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.65 -54.69 38.37 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.34 -42.03 86.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt -56.86 -50.53 72.16 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.741 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.477 HD13 HG22 ' B' ' 704' ' ' ILE . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.47 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 985' ' ' LEU . . . . . 0.535 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.573 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -62.96 -37.32 86.63 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.1 tptt -71.41 -43.25 67.14 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.667 0.746 . . . . 0.0 109.56 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -4.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 O-C-N 121.338 -0.851 . . . . 0.0 108.77 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.52 -28.61 0.4 Allowed Glycine 0 N--CA 1.5 2.955 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.1 t80 -86.15 -17.48 34.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.283 -1.127 . . . . 0.0 110.073 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.38 -11.24 38.41 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.345 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -80.84 -41.68 22.82 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.622 ' C ' ' H ' ' A' ' 997' ' ' ARG . 47.4 mtp180 -89.49 -15.32 33.31 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.776 0.798 . . . . 0.0 111.466 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.448 ' O ' ' CD ' ' A' ' 998' ' ' PRO . 60.1 t30 -56.44 3.25 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 O-C-N 121.753 -0.592 . . . . 0.0 110.046 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.622 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.4 OUTLIER -29.49 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 1.2 Cg_endo -86.56 10.45 3.62 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 121.862 1.708 . . . . 0.0 115.393 176.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.4 Cg_endo -92.9 -152.84 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.259 0 CA-C-N 122.477 1.92 . . . . 0.0 110.994 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 67.6 5.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.964 -1.085 . . . . 0.0 108.254 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' 1003 ' ' ASP . 60.6 mt-10 -143.81 0.04 1.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.122 -0.986 . . . . 0.0 109.454 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.08 17.59 0.44 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' 1001 ' ' GLU . 1.4 t70 -158.37 145.79 18.0 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -157.68 70.76 0.59 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.132 -0.98 . . . . 0.0 109.405 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.46 152.85 20.67 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.338 -0.851 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' 1007 ' ' GLY . 41.1 mt-10 -79.75 -71.93 0.43 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.695 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1007 ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' 1006 ' ' GLU . . . -58.84 -156.6 0.02 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 67.8 tt0 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.394 -1.062 . . . . 0.0 109.386 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.731 2.652 . . . . 0.0 119.731 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -82.51 107.12 14.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -1.165 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 57.22 3.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 80.52 -174.47 54.92 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 9.1 t -159.82 179.34 8.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -124.63 -19.28 5.41 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.618 -0.676 . . . . 0.0 109.206 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.93 -69.98 1.27 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.81 -154.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.814 2.343 . . . . 0.0 112.281 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 694' ' ' LEU . 0.6 OUTLIER -88.79 -87.69 0.16 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 122.132 0.968 . . . . 0.0 109.416 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.517 ' H ' ' CG ' ' B' ' 692' ' ' ASP . 0.9 OUTLIER 66.33 -43.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.22 -50.84 14.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.119 -0.988 . . . . 0.0 108.955 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.81 -53.72 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.224 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 4.3 m -56.7 -40.24 68.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.071 -1.018 . . . . 0.0 109.456 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.45 -47.73 69.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.03 -1.044 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -55.41 -47.0 76.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.303 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 30.7 p -62.75 -52.47 63.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.161 -0.962 . . . . 0.0 110.179 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.76 -31.51 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 109.18 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.741 HG23 ' HA2' ' A' ' 976' ' ' GLY . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.458 HD12 ' N ' ' B' ' 717' ' ' LEU . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m -76.12 -44.8 36.87 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.32 -34.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.694 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -57.96 -34.11 69.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.943 -1.098 . . . . 0.0 108.29 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -87.44 -33.51 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.469 -0.77 . . . . 0.0 110.617 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -44.03 -34.45 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.083 -1.011 . . . . 0.0 109.91 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -59.17 3.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.092 -1.005 . . . . 0.0 109.04 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 2.6 tm-20 -63.55 -47.76 80.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.1 -39.72 43.49 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.03 -59.17 2.86 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.93 -25.37 3.2 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 121.27 -0.894 . . . . 0.0 109.223 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.3 t80 -70.26 -61.0 1.94 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.24 -24.21 67.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.52 -44.06 92.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.322 -0.861 . . . . 0.0 109.175 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.98 -43.53 78.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.443 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -62.66 -39.3 93.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.276 -0.89 . . . . 0.0 109.674 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.88 53.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -57.3 -44.87 84.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.213 -0.929 . . . . 0.0 109.858 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.99 -39.49 12.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.083 -1.011 . . . . 0.0 109.728 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.11 -65.52 0.67 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.926 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' B' ' 741' ' ' THR . 24.6 t-105 -51.27 -21.0 1.86 Allowed 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' B' ' 738' ' ' LYS . 24.4 t70 -79.22 17.01 0.85 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.609 0.718 . . . . 0.0 109.239 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.464 ' C ' ' H ' ' B' ' 743' ' ' ASN . 35.8 p -155.1 173.74 16.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 50.83 13.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 108.965 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' B' ' 741' ' ' THR . 7.6 m-80 -159.95 22.64 0.17 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.525 HD21 HD21 ' B' ' 746' ' ' LEU . 9.1 t30 -136.26 68.35 62.03 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.572 -0.705 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -90.42 21.37 0.87 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.073 2.515 . . . . 0.0 112.407 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.525 HD21 HD21 ' B' ' 744' ' ' ASN . 2.1 pp -67.34 -37.17 82.83 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 109.214 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.422 ' N ' HD12 ' B' ' 746' ' ' LEU . 2.1 t80 -56.25 -62.54 1.64 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -45.27 -40.22 7.31 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.322 0.582 . . . . 0.0 109.494 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.95 -36.26 74.5 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.366 -0.834 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 747' ' ' TYR . . . 59.22 36.97 23.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.351 -0.843 . . . . 0.0 109.357 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 752' ' ' SER . 3.9 p 50.19 29.34 3.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.276 -0.89 . . . . 0.0 109.374 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.602 ' O ' HG22 ' B' ' 755' ' ' THR . 15.7 p 56.21 107.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.508 ' C ' ' H ' ' B' ' 755' ' ' THR . 35.5 m -87.01 -23.28 25.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 67.9 t80 -65.98 6.52 0.37 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.372 -0.83 . . . . 0.0 110.074 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.602 HG22 ' O ' ' B' ' 752' ' ' SER . 8.6 t -107.07 29.75 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.645 -0.659 . . . . 0.0 109.508 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -135.93 37.43 2.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.397 -0.815 . . . . 0.0 109.231 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 57.3 mt -91.76 96.94 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.406 -0.809 . . . . 0.0 109.553 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 71.7 p -55.85 130.91 45.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 0.0 109.461 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' B' ' 760' ' ' ARG . 91.9 t80 -73.81 121.61 21.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.267 -0.896 . . . . 0.0 109.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 74.2 mtt180 -78.99 -165.43 0.75 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.454 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.25 19.98 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.284 -1.127 . . . . 0.0 109.496 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.37 87.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -1.122 . . . . 0.0 109.494 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.53 -54.16 30.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -179.36 -150.45 9.02 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 5.5 m -160.92 -179.09 7.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -1.154 . . . . 0.0 109.413 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.02 4.19 7.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 963' ' ' ALA . 46.7 mt-10 -101.65 10.83 39.79 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -63.24 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 109.817 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -86.02 4.03 39.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 108.892 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.6 mt 46.76 66.48 5.53 Favored Pre-proline 0 N--CA 1.488 1.437 0 O-C-N 121.473 -0.767 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 965' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 51.2 Cg_exo -55.21 72.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.812 2.342 . . . . 0.0 112.155 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.833 HD12 ' H ' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.31 -28.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.102 -0.999 . . . . 0.0 110.709 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -50.84 59.34 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.24 -50.94 66.01 Favored 'General case' 0 C--N 1.283 -2.303 0 CA-C-N 114.647 -1.16 . . . . 0.0 108.168 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.76 -43.52 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 970' ' ' LEU . 1.9 tt -60.05 -51.7 68.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 977' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 978' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.413 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.747 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.44 -38.3 90.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -75.66 -33.91 60.46 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.368 0.604 . . . . 0.0 110.232 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 986' ' ' ALA . 2.8 t -56.24 -3.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 121.374 -0.829 . . . . 0.0 109.439 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.83 -29.38 0.08 OUTLIER Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -76.88 -17.61 58.85 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.576 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.58 -21.75 15.18 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.235 1.016 . . . . 0.0 109.026 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -84.77 -42.56 15.07 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 997' ' ' ARG . 11.7 mtp-105 -82.92 -117.99 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.838 0.828 . . . . 0.0 110.496 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 997' ' ' ARG . 8.8 t-20 50.85 4.09 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.804 -0.56 . . . . 0.0 110.637 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' A' ' 995' ' ' ARG . 4.0 mmt85 -33.71 97.9 0.12 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 122.112 -0.367 . . . . 0.0 111.587 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 48.4 Cg_endo -86.04 8.71 4.37 Favored 'Trans proline' 0 CA--C 1.565 2.028 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.3 Cg_endo -90.9 176.85 2.22 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 CA-C-N 122.442 1.908 . . . . 0.0 111.86 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.572 ' H ' HD23 ' A' 1000 ' ' LEU . 0.1 OUTLIER -77.24 98.48 5.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.122 -0.986 . . . . 0.0 108.645 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.94 55.84 1.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.446 -0.784 . . . . 0.0 109.411 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.75 47.7 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -156.05 101.06 2.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 109.703 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' 1004 ' ' ASP . 12.6 t70 -161.52 21.41 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.242 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -103.11 -138.59 0.35 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -82.2 -111.24 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.337 -0.852 . . . . 0.0 109.197 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.79 -173.59 33.82 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.27 -1.135 . . . . 0.0 109.609 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.001 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.48 85.47 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 0.0 109.519 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.93 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 0.0 109.531 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.43 53.3 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 14.6 t -160.14 -178.11 6.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -1.177 . . . . 0.0 109.578 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.44 ' N ' ' OG ' ' B' ' 688' ' ' SER . 66.9 mmtt -83.76 -2.69 56.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.38 0.55 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.07 -108.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.364 2.043 . . . . 0.0 111.846 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' B' ' 694' ' ' LEU . 4.1 t70 -172.8 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.252 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.1 mm 58.69 -26.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.952 -0.468 . . . . 0.0 110.868 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -73.04 -50.36 23.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.612 -1.305 . . . . 0.0 110.118 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.95 -53.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.974 -1.079 . . . . 0.0 109.698 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 11.0 m -59.88 -39.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.089 -1.007 . . . . 0.0 109.434 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.25 -49.73 66.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.095 -1.003 . . . . 0.0 108.943 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.68 -50.06 64.04 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 75.7 m -60.5 -51.36 69.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.173 -0.954 . . . . 0.0 109.15 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.9 -47.21 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.464 -0.772 . . . . 0.0 109.641 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.438 HG23 ' HA2' ' A' ' 976' ' ' GLY . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m -77.47 -23.78 50.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 45.0 mt -73.94 -22.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 110.468 -178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -56.49 -37.75 70.81 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.821 -1.174 . . . . 0.0 108.898 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -87.71 -30.93 19.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.352 -0.842 . . . . 0.0 111.153 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -46.32 -33.57 3.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.815 -1.178 . . . . 0.0 110.29 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -59.17 4.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.901 -1.125 . . . . 0.0 109.602 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 730' ' ' PHE . 44.2 tt0 -65.05 -46.24 82.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 108.402 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -50.58 -39.45 49.64 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.27 2.35 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -25.79 3.57 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.447 -0.783 . . . . 0.0 109.464 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.8 t80 -69.88 -60.33 2.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.152 -0.968 . . . . 0.0 109.296 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.12 -28.2 68.93 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.34 -47.26 82.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.124 -0.985 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.61 -47.46 86.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -56.59 -28.09 59.53 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.09 -61.26 1.83 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.143 -0.973 . . . . 0.0 109.85 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -72.74 -18.52 61.51 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.118 -0.989 . . . . 0.0 110.094 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.75 -38.23 15.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.028 -1.045 . . . . 0.0 108.653 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -56.59 5.26 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.814 0.816 . . . . 0.0 109.011 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -51.81 -21.91 3.24 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -82.04 21.2 0.91 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.432 0.634 . . . . 0.0 109.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.504 HG22 ' H ' ' B' ' 742' ' ' ALA . 1.7 m -154.47 -140.57 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.483 -0.761 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.504 ' H ' HG22 ' B' ' 741' ' ' THR . . . 53.23 96.68 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' B' ' 742' ' ' ALA . 24.7 m-20 31.2 43.69 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.933 0.397 . . . . 0.0 111.403 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 743' ' ' ASN . 45.0 t30 -40.87 103.95 0.32 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.634 -0.666 . . . . 0.0 109.64 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -84.69 10.74 3.61 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.27 1.98 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' B' ' 746' ' ' LEU . 2.3 pp -94.32 -32.28 13.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.132 -0.98 . . . . 0.0 108.552 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -48.34 71.05 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -41.91 -34.64 0.71 Allowed 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.309 0.576 . . . . 0.0 109.981 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.41 -35.25 60.2 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.285 -0.884 . . . . 0.0 109.203 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' B' ' 752' ' ' SER . . . -70.58 -58.24 3.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.497 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 1.9 m -75.77 26.7 0.11 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.286 -0.884 . . . . 0.0 109.436 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.48 ' H ' ' C ' ' B' ' 750' ' ' ALA . 19.4 m -48.87 113.41 0.78 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.423 -0.798 . . . . 0.0 109.522 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 755' ' ' THR . 92.6 m -81.59 -24.77 36.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 0.0 109.554 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 73.0 t80 -68.09 6.52 0.72 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.627 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 753' ' ' THR . 90.6 m -80.35 -20.12 44.9 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.56 58.26 1.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.83 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.8 mp -43.82 137.95 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.492 -0.755 . . . . 0.0 109.973 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 2.1 p -146.82 132.91 19.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.228 -0.92 . . . . 0.0 109.01 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -76.64 78.39 3.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -56.7 114.94 2.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.626 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -82.75 80.46 1.81 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.359 -1.083 . . . . 0.0 109.419 179.915 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.98 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -50.84 -31.96 18.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -1.152 . . . . 0.0 109.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 48.5 mmm -63.89 85.96 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 62.82 178.27 3.95 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 961' ' ' GLU . 67.4 m -160.01 -171.63 3.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.32 3.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.165 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 959' ' ' SER . 45.8 mt-10 -111.27 11.87 21.71 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -46.25 128.57 9.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.0 109.71 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -137.05 -17.47 1.38 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.451 -0.781 . . . . 0.0 109.826 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.5 68.68 3.28 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.98 -1.075 . . . . 0.0 109.764 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.38 83.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 123.08 2.52 . . . . 0.0 112.423 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.8 mm -52.55 -21.6 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.0 109.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -52.85 59.28 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.68 -50.03 73.35 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 20.6 t -59.89 -43.24 91.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -57.55 -53.54 57.05 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' B' ' 700' ' ' VAL . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.608 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.621 HD11 HG23 ' A' ' 984' ' ' VAL . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 980' ' ' LEU . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 985' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 989' ' ' LYS . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.702 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -61.45 -35.77 78.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.1 mptt -74.6 -39.24 62.31 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.453 -0.779 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -5.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.168 -0.957 . . . . 0.0 108.54 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.68 -29.83 0.3 Allowed Glycine 0 N--CA 1.5 2.903 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 988' ' ' TRP . 65.9 t80 -84.34 -17.69 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.171 -1.193 . . . . 0.0 110.052 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.01 -12.87 27.71 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.252 1.025 . . . . 0.0 108.638 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -84.49 -43.73 14.3 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.828 0.823 . . . . 0.0 109.139 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.67 ' C ' ' H ' ' A' ' 997' ' ' ARG . 13.9 mtp-105 -82.74 -17.68 43.42 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.779 0.799 . . . . 0.0 111.447 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 997' ' ' ARG . 11.0 t-20 -64.05 20.34 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.576 0 O-C-N 121.805 -0.559 . . . . 0.0 109.792 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.67 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -23.14 88.15 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 13.6 Cg_exo -71.29 -5.27 16.65 Favored 'Trans proline' 0 CA--C 1.571 2.327 0 C-N-CA 122.391 2.061 . . . . 0.0 116.497 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.462 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 24.5 Cg_endo -94.33 -156.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.168 0 CA-C-N 122.818 2.042 . . . . 0.0 111.879 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' 1002 ' ' GLU . 5.6 tp -85.67 11.84 10.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.128 -0.982 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' 1003 ' ' ASP . 28.9 tt0 60.73 -59.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.025 0.441 . . . . 0.0 110.919 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' 1000 ' ' LEU . 47.5 mt-10 -44.42 98.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.13 -0.981 . . . . 0.0 110.352 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' 1005 ' ' GLU . 42.7 m-20 -80.3 142.49 34.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 108.898 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -72.86 34.86 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.174 -0.954 . . . . 0.0 110.226 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' 1003 ' ' ASP . 32.8 mt-10 -144.09 -113.26 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.054 -1.029 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -103.54 130.13 50.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.184 -0.947 . . . . 0.0 109.51 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -77.91 -67.51 1.62 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.335 -1.097 . . . . 0.0 109.342 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.703 2.641 . . . . 0.0 119.703 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 685' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 686' ' ' MET . . . -165.11 6.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -1.159 . . . . 0.0 109.475 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 686' ' ' MET . . . . . 0.437 ' O ' ' O ' ' B' ' 685' ' ' ALA . 12.8 ttt 57.66 160.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.666 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -83.35 -177.33 51.78 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 75.3 m -74.49 -161.97 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -120.89 -66.09 1.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.524 -0.735 . . . . 0.0 109.456 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -85.88 -55.69 2.48 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.466 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.7 Cg_exo -51.89 -129.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.118 2.545 . . . . 0.0 112.693 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.609 ' C ' ' H ' ' B' ' 694' ' ' LEU . 49.2 t0 -163.34 -26.38 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.163 -0.961 . . . . 0.0 110.193 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.555 HG22 ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.82 -5.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 122.582 0.353 . . . . 0.0 111.923 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.609 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.55 -50.99 11.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.439 -1.413 . . . . 0.0 109.888 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.55 -53.8 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 111.529 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.409 HG22 ' H ' ' B' ' 696' ' ' VAL . 11.5 m -59.75 -32.57 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.453 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.14 -45.01 71.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.353 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 63.1 mt -54.49 -43.78 72.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.111 -0.993 . . . . 0.0 109.061 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 3.7 t -61.59 -48.5 80.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 108.793 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 972' ' ' GLY . 1.9 t -54.85 -53.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.493 -0.755 . . . . 0.0 109.25 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.608 HG23 ' HA2' ' A' ' 976' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 711' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 980' ' ' LEU . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.499 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m -76.33 -51.48 11.85 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.13 -23.11 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.904 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.62 -35.03 74.89 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.56 -28.9 21.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.607 -0.683 . . . . 0.0 110.261 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 724' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' B' ' 728' ' ' ALA . 5.1 mmp_? -45.15 -30.92 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.04 -1.038 . . . . 0.0 109.866 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 725' ' ' LYS . . . . . 0.628 ' HB3' ' HZ1' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -70.77 -59.06 3.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.108 -0.995 . . . . 0.0 109.077 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 28.8 tt0 -63.56 -49.88 71.69 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.58 -37.15 48.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 728' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' B' ' 724' ' ' ARG . . . -73.82 -59.95 2.48 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 729' ' ' LYS . . . . . 0.628 ' HZ1' ' HB3' ' B' ' 725' ' ' LYS . 1.2 mtmp? -50.38 -25.73 4.19 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.43 -0.794 . . . . 0.0 109.292 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.0 t80 -70.18 -60.32 2.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.594 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.56 -25.46 68.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.181 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.35 -47.1 87.44 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.322 -0.861 . . . . 0.0 109.123 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.09 -45.06 90.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.376 -0.827 . . . . 0.0 109.255 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -51.41 -42.7 61.64 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.886 . . . . 0.0 109.634 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.163 -0.961 . . . . 0.0 109.561 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -52.17 -35.02 47.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.208 -0.932 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.56 83.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.0 109.593 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.1 mmmt -60.25 -63.23 1.37 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 109.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -51.97 -21.08 2.74 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' B' ' 738' ' ' LYS . 34.8 t70 -100.67 26.08 7.17 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.414 0.626 . . . . 0.0 109.74 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 1.3 m -166.08 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.292 -0.88 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 57.54 74.45 0.42 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.528 -0.732 . . . . 0.0 109.572 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 43.78 30.25 0.36 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.6 -0.687 . . . . 0.0 110.15 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.7 109.21 1.05 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.054 -1.029 . . . . 0.0 109.276 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -85.69 20.03 1.3 Allowed 'Trans proline' 0 N--CA 1.486 1.088 0 C-N-CA 122.11 1.874 . . . . 0.0 111.979 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.92 -37.49 9.02 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.677 0.751 . . . . 0.0 109.278 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -60.59 2.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -43.81 -31.63 0.88 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.589 . . . . 0.0 109.788 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.75 -38.04 63.98 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.274 -0.891 . . . . 0.0 109.143 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 55.72 53.07 9.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 751' ' ' THR . . . . . 0.436 ' O ' ' O ' ' B' ' 752' ' ' SER . 22.3 p 46.58 39.93 7.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 109.711 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 752' ' ' SER . . . . . 0.436 ' O ' ' O ' ' B' ' 751' ' ' THR . 1.8 m 61.51 138.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.419 -0.801 . . . . 0.0 109.681 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 753' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 755' ' ' THR . 24.4 m -77.39 -24.67 50.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.5 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 51.9 t80 -68.88 8.02 0.59 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.808 . . . . 0.0 109.68 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 753' ' ' THR . 49.1 m -103.35 -18.44 14.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.788 -0.57 . . . . 0.0 109.473 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -82.47 26.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.1 mm -92.03 41.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 109.705 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 758' ' ' THR . 29.8 m -163.18 5.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.07 -1.019 . . . . 0.0 109.498 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -99.0 -156.34 0.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.73 -165.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.0 109.358 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 179.9 -113.63 0.4 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.236 -1.155 . . . . 0.0 109.462 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.939 0 N-CA-C 119.795 2.678 . . . . 0.0 119.795 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.47 24.43 1.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -1.154 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 23.8 mmt -53.09 163.64 0.51 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -173.13 -72.28 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 17.9 p -60.5 101.92 0.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 6.95 3.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 962' ' ' ARG . 43.1 mt-10 -89.86 -11.13 42.86 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 962' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 961' ' ' GLU . 14.2 mtm105 41.77 80.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.572 -0.705 . . . . 0.0 110.03 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -155.62 -62.33 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 0.0 109.243 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 964' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.7 mt 47.58 68.5 3.44 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.76 83.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.924 0 C-N-CA 122.969 2.446 . . . . 0.0 111.992 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.6 mm -50.17 -24.95 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 110.082 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -50.73 62.98 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.586 ' HE1' HD23 ' B' ' 697' ' ' LEU . 1.0 OUTLIER -53.82 -51.09 64.65 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.174 179.12 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.11 -43.6 97.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -60.94 -50.6 72.73 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.414 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -63.92 -37.51 87.66 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -65.18 -44.26 89.04 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 990' ' ' VAL . 8.4 t -56.81 -2.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 C-N-CA 119.756 -0.777 . . . . 0.0 109.027 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.79 -27.3 0.38 Allowed Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 988' ' ' TRP . 35.4 t80 -86.49 -18.1 32.49 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.627 -0.925 . . . . 0.0 109.468 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.37 -10.45 25.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.501 1.143 . . . . 0.0 108.188 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -66.17 -33.33 75.52 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 122.628 1.204 . . . . 0.0 108.562 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.684 ' C ' ' H ' ' A' ' 997' ' ' ARG . 53.1 mtp85 -72.11 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.36 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.526 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 1.2 t30 -61.48 20.71 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.921 -0.487 . . . . 0.0 110.369 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.684 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt85 -22.51 91.9 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 72.0 Cg_endo -71.99 -9.59 24.85 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 18.8 Cg_endo -95.23 161.91 1.61 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 CA-C-N 122.311 1.861 . . . . 0.0 112.281 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.43 120.69 26.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.952 . . . . 0.0 108.595 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.3 172.97 12.13 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.372 -0.83 . . . . 0.0 109.637 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.18 172.36 0.61 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.291 -0.88 . . . . 0.0 109.552 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' 1006 ' ' GLU . 32.7 t70 -96.45 55.28 1.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.553 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1004 ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' A' 1005 ' ' GLU . 21.1 t0 46.58 -145.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.186 -0.946 . . . . 0.0 109.871 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.529 ' H ' ' CG ' ' A' 1004 ' ' ASP . 14.9 mm-40 -48.45 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.35 -0.844 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1006 ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' A' 1006 ' ' GLU . 24.7 mp0 -45.48 148.27 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -0.834 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 168.62 57.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1008 ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' A' 1008 ' ' GLU . 2.6 mp0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -1.167 . . . . 0.0 109.338 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 684' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.531 5.026 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 685' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' B' ' 687' ' ' GLY . . . 49.95 15.38 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.244 -1.151 . . . . 0.0 109.399 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 686' ' ' MET . . . . . 0.435 ' N ' ' C ' ' B' ' 684' ' ' GLY . 11.5 ttt -71.66 46.88 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.275 -0.891 . . . . 0.0 109.178 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 687' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 686' ' ' MET . . . -55.3 -170.06 0.07 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 1.8 t -154.99 174.67 14.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.157 -1.202 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.409 ' N ' ' OG ' ' B' ' 688' ' ' SER . 36.7 tptt -87.73 -36.34 17.41 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.271 -0.893 . . . . 0.0 110.079 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 690' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.81 -67.92 1.97 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 691' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' B' ' 690' ' ' GLY . 35.7 Cg_exo -57.5 -133.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.143 1.895 . . . . 0.0 111.37 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' B' ' 694' ' ' LEU . 4.4 t70 -164.61 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.299 -0.875 . . . . 0.0 109.111 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.3 mm 59.21 -49.17 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.02 0.438 . . . . 0.0 109.841 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.91 -47.27 68.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 110.512 -179.269 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.38 -54.66 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.801 -1.187 . . . . 0.0 109.811 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.5 -37.7 79.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 120.854 -1.153 . . . . 0.0 109.022 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.586 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.2 OUTLIER -56.59 -47.1 80.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.132 -0.98 . . . . 0.0 108.836 179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.491 HD23 ' O ' ' B' ' 698' ' ' LEU . 2.5 tt -52.94 -49.94 65.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.262 -0.899 . . . . 0.0 108.984 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 58.7 m -58.08 -45.94 86.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.205 -0.935 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t -55.11 -48.19 76.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.806 . . . . 0.0 110.317 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.529 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.714 HG23 ' HA2' ' A' ' 976' ' ' GLY . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.467 ' CH2' HD22 ' B' ' 718' ' ' LEU . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.467 HD22 ' CH2' ' B' ' 715' ' ' TRP . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m -57.0 -42.56 80.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.0 -24.34 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.42 -0.8 . . . . 0.0 110.215 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 108.049 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.17 -30.54 20.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.806 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.42 -33.96 2.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.147 -0.97 . . . . 0.0 109.816 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -58.47 5.7 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.148 -0.97 . . . . 0.0 108.906 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 46.8 tt0 -62.21 -47.29 85.1 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -72.39 -60.37 2.27 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -25.7 3.67 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.36 -0.837 . . . . 0.0 109.267 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 76.0 t80 -68.97 -60.19 2.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -0.921 . . . . 0.0 109.357 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.54 -25.0 66.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.227 -0.921 . . . . 0.0 109.398 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.23 -49.33 72.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -0.921 . . . . 0.0 109.228 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.27 -44.46 97.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.405 -0.81 . . . . 0.0 109.004 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -65.01 -31.18 72.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.8 -50.35 36.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.523 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -65.29 -33.55 76.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.252 -0.905 . . . . 0.0 109.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -50.25 -40.52 48.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 741' ' ' THR . 10.3 mmtt -62.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.42 -0.8 . . . . 0.0 109.79 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -51.64 -20.57 2.09 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 40.8 t0 -99.56 20.98 12.93 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.555 0.693 . . . . 0.0 109.456 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.517 HG22 ' H ' ' B' ' 742' ' ' ALA . 0.2 OUTLIER -169.87 -162.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.517 ' H ' HG22 ' B' ' 741' ' ' THR . . . 47.56 14.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.059 -1.025 . . . . 0.0 109.364 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.522 ' O ' ' C ' ' B' ' 744' ' ' ASN . 1.3 t-20 -162.32 24.29 0.11 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' B' ' 743' ' ' ASN . 13.9 t-20 -13.7 82.05 0.03 OUTLIER Pre-proline 0 N--CA 1.509 2.512 0 C-N-CA 123.073 0.549 . . . . 0.0 112.014 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 745' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' B' ' 743' ' ' ASN . 63.7 Cg_endo -90.7 15.87 1.74 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.945 2.43 . . . . 0.0 112.541 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.484 HD21 ' ND2' ' B' ' 744' ' ' ASN . 2.1 pp -87.37 -39.09 15.61 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.434 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.6 OUTLIER -79.95 -53.3 6.87 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.442 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -43.28 -29.22 0.39 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.811 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.41 -52.28 64.09 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.186 -0.946 . . . . 0.0 109.068 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 46.7 34.62 2.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 109.82 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 5.4 p 53.33 53.24 12.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.213 -0.93 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 7.0 t 57.99 90.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 60.9 m -47.87 -25.34 1.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.501 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' B' ' 755' ' ' THR . 0.6 OUTLIER -76.05 170.9 15.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.746 ' O ' HG22 ' B' ' 755' ' ' THR . 18.5 m 42.55 40.76 2.06 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.009 0.909 . . . . 0.0 109.652 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -136.09 33.14 2.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.106 -0.996 . . . . 0.0 109.165 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 62.1 mt -90.01 79.73 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.419 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.49 ' O ' ' N ' ' B' ' 760' ' ' ARG . 30.9 p -82.91 -150.71 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.393 -0.817 . . . . 0.0 109.433 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 71.9 t80 -68.02 48.84 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.89 . . . . 0.0 109.499 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 758' ' ' THR . 28.0 mtp180 -101.02 -169.96 1.77 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' B' ' 762' ' ' THR . . . -55.81 101.04 0.11 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 761' ' ' GLY . 22.3 p . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.274 -1.133 . . . . 0.0 109.501 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.95 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -163.65 37.81 0.09 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 959' ' ' SER . 34.0 mtt -50.16 165.5 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 0.0 109.282 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 77.55 -25.61 2.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 957' ' ' MET . 1.4 m 64.9 143.47 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.544 -0.974 . . . . 0.0 109.395 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 960' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 14.0 mp0 -141.99 11.37 2.0 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -76.13 -76.62 0.15 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -165.7 58.07 0.11 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.351 -0.843 . . . . 0.0 109.937 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.08 -87.22 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.966 -1.084 . . . . 0.0 109.509 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.2 mt 44.49 66.97 4.42 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.402 -0.811 . . . . 0.0 110.084 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.14 88.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.97 2.447 . . . . 0.0 112.635 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.8 mm -62.0 -25.44 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.06 . . . . 0.0 109.858 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -50.79 -53.63 30.29 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.673 1.225 . . . . 0.0 107.773 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' TRP . . . . . 0.554 ' HE1' HD23 ' B' ' 697' ' ' LEU . 3.6 t-105 -56.1 -48.35 76.31 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.216 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.49 -43.05 97.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp -58.14 -49.64 76.28 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.422 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.749 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.803 HD22 HG22 ' B' ' 704' ' ' ILE . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.427 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -63.83 -36.31 83.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.7 tptt -71.78 -35.55 70.06 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.906 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -7.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.096 -1.002 . . . . 0.0 108.9 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -128.22 -30.04 0.75 Allowed Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -86.49 -17.17 34.85 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.204 -1.174 . . . . 0.0 110.232 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -14.17 30.28 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 122.25 1.024 . . . . 0.0 108.351 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -62.63 -40.0 95.61 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -100.53 109.0 21.08 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -133.75 55.99 1.87 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.512 ' C ' ' HD2' ' A' ' 999' ' ' PRO . 2.2 mmt-85 -99.38 91.02 1.31 Allowed Pre-proline 0 N--CA 1.486 1.369 0 O-C-N 121.665 -0.647 . . . . 0.0 112.094 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.0 Cg_endo -76.33 -2.56 12.77 Favored 'Trans proline' 0 CA--C 1.569 2.246 0 C-N-CA 121.783 1.655 . . . . 0.0 116.282 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 19.5 Cg_endo -92.28 172.32 2.42 Favored 'Trans proline' 0 N--CA 1.489 1.206 0 CA-C-N 122.508 1.932 . . . . 0.0 111.43 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' 1000 ' ' LEU . 2.1 tt -72.87 80.24 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.928 -1.108 . . . . 0.0 108.683 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' 1002 ' ' GLU . 2.4 tm-20 -85.61 106.62 17.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.394 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1002 ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' A' 1001 ' ' GLU . 74.9 mt-10 -80.14 -156.79 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.128 -0.983 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.57 161.5 11.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 0.0 109.595 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.04 149.24 39.27 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.293 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.483 ' C ' ' H ' ' A' 1007 ' ' GLY . 40.7 mp0 -76.33 -28.82 57.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 109.649 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.25 17.39 0.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.234 -0.916 . . . . 0.0 109.576 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1007 ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' 1005 ' ' GLU . . . -49.76 -56.8 10.73 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.275 -1.132 . . . . 0.0 109.579 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.007 0 N-CA-C 119.8 2.68 . . . . 0.0 119.8 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -163.19 152.96 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -1.13 . . . . 0.0 109.404 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 32.4 mtt -80.34 53.29 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.577 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -79.48 -134.12 1.06 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 2.4 m -150.66 125.32 9.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.24 -1.153 . . . . 0.0 109.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -88.72 -11.65 44.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.262 -0.899 . . . . 0.0 109.813 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -76.98 -78.69 0.72 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.81 -154.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.761 2.307 . . . . 0.0 112.178 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 694' ' ' LEU . 37.5 t0 -111.26 -19.21 12.74 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 693' ' ' ILE . . . . . 0.578 HG22 ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.15 1.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-O 121.075 0.464 . . . . 0.0 111.128 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.16 -52.32 9.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.845 -1.159 . . . . 0.0 109.446 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.7 t -56.21 -53.84 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.861 . . . . 0.0 110.495 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 697' ' ' LEU . 23.8 m -54.63 -34.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.991 -1.068 . . . . 0.0 109.187 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.554 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.3 OUTLIER -58.96 -53.49 57.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.353 -0.842 . . . . 0.0 108.91 179.538 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.76 -32.35 42.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.234 -0.916 . . . . 0.0 109.557 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 8.7 t -63.17 -52.2 63.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.109 -0.994 . . . . 0.0 109.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t -62.28 -31.5 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.06 -1.025 . . . . 0.0 108.972 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.803 HG22 HD22 ' A' ' 979' ' ' LEU . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.471 ' NE1' HG13 ' A' ' 984' ' ' VAL . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m -75.91 -35.71 59.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 71.3 mt -73.14 -43.53 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 0.0 110.13 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -49.96 -29.31 8.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.871 -1.143 . . . . 0.0 108.342 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.07 -30.5 19.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.668 -0.645 . . . . 0.0 110.42 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -47.04 -32.65 4.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.857 -1.152 . . . . 0.0 109.611 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -59.2 3.51 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.028 -1.045 . . . . 0.0 108.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 730' ' ' PHE . 11.4 tm-20 -62.29 -49.65 74.82 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 727' ' ' PHE . . . . . 0.45 ' N ' ' OE1' ' B' ' 726' ' ' GLU . 54.2 t80 -49.81 -38.91 36.62 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.08 -61.28 1.91 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -28.14 3.51 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.353 -0.842 . . . . 0.0 109.363 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' B' ' 726' ' ' GLU . 31.0 t80 -72.36 -60.44 2.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.178 -0.951 . . . . 0.0 109.313 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.39 -23.56 67.46 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.691 -0.631 . . . . 0.0 109.606 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.16 -51.85 41.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 109.411 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.94 -38.01 81.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.568 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -62.35 -36.49 82.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.09 -39.73 29.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.59 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.97 -40.98 86.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.904 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -53.41 -41.84 66.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.407 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -66.06 -60.32 2.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 109.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -51.08 -21.01 1.64 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.4 t70 -83.94 21.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.568 0.699 . . . . 0.0 109.344 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.617 ' O ' ' HB3' ' B' ' 742' ' ' ALA . 67.3 p -147.65 -136.5 0.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.473 -0.767 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 741' ' ' THR . . . 75.02 52.71 0.08 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' B' ' 744' ' ' ASN . 9.3 m-80 38.94 36.81 0.17 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.984 -0.448 . . . . 0.0 110.447 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' B' ' 743' ' ' ASN . 58.1 t30 -38.61 100.7 0.21 Allowed Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.828 -0.545 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -90.49 11.67 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 122.165 1.91 . . . . 0.0 113.757 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.406 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.4 pp -92.89 -38.32 11.78 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 108.438 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -47.15 9.5 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -42.98 -35.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.39 0.614 . . . . 0.0 109.726 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 749' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.4 tt0 -72.48 -69.58 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 750' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 170.98 -73.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.89 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 109.149 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.8 m 176.64 141.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.486 -0.759 . . . . 0.0 108.976 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 12.8 m -83.74 -31.05 26.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.188 -0.945 . . . . 0.0 109.472 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -94.32 -129.7 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.501 ' C ' ' H ' ' B' ' 757' ' ' ILE . 0.4 OUTLIER 64.87 0.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.64 -0.662 . . . . 0.0 109.422 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 756' ' ' ASN . 1.3 t30 -77.05 30.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 108.664 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.501 ' H ' ' C ' ' B' ' 755' ' ' THR . 19.4 mm -42.78 -78.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-O 121.567 0.698 . . . . 0.0 110.415 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 757' ' ' ILE . 31.1 p 50.83 178.96 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -91.44 85.99 5.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 109.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -79.21 -155.95 0.1 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -69.32 151.24 50.84 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.269 -1.136 . . . . 0.0 109.369 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 956' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 957' ' ' MET . . . -160.43 -64.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -1.161 . . . . 0.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 957' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 956' ' ' ALA . 14.5 mmt 54.47 174.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.69 158.28 8.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 56.2 p -68.18 166.43 16.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -1.119 . . . . 0.0 109.438 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.25 6.29 17.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 109.234 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 963' ' ' ALA . 41.8 mt-10 -98.79 29.8 3.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -54.4 85.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.413 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 963' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.46 -14.05 47.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 109.492 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 13.2 mt 47.15 68.27 3.66 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.24 128.59 17.48 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.136 2.557 . . . . 0.0 112.358 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.1 mt -85.41 -24.96 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.404 -0.81 . . . . 0.0 109.952 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -50.93 60.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -54.8 -53.79 50.67 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.549 -1.205 . . . . 0.0 107.969 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.84 -42.07 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt -59.88 -51.53 69.31 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.718 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 976' ' ' GLY . . . . . 0.599 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 704' ' ' ILE . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.463 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 985' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.93 -39.42 94.13 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.7 tptt -66.61 -40.88 89.04 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.737 0.779 . . . . 0.0 109.191 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 990' ' ' VAL . 10.4 t -56.43 -1.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.068 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.3 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -143.52 -28.21 0.13 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 988' ' ' TRP . 44.5 t80 -82.67 -13.75 55.86 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.5 -1.0 . . . . 0.0 109.523 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.69 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 122.462 1.125 . . . . 0.0 108.549 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -74.23 -44.91 51.25 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.481 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.96 -126.25 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.671 0.748 . . . . 0.0 110.141 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 997' ' ' ARG . 8.7 t30 49.88 8.15 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.636 -0.665 . . . . 0.0 110.131 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.1 mmt180 -35.38 99.3 0.17 Allowed Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 122.147 -0.345 . . . . 0.0 111.485 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 40.9 Cg_endo -93.47 18.14 0.98 Allowed 'Trans proline' 0 CA--C 1.561 1.843 0 C-N-CA 121.748 1.632 . . . . 0.0 115.687 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.3 Cg_endo -87.54 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.414 0 CA-C-N 121.856 1.699 . . . . 0.0 111.496 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 7.6 tp -108.71 39.09 2.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.303 -0.873 . . . . 0.0 108.713 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' ASP . 40.6 mm-40 -87.72 -17.74 31.03 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -0.907 . . . . 0.0 109.708 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -47.37 95.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.807 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' 1001 ' ' GLU . 44.5 m-20 -79.94 147.86 31.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.414 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.65 -149.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1005 ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' 1005 ' ' GLU . 15.6 mp0 -48.78 -39.35 24.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.351 -0.843 . . . . 0.0 109.744 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -50.78 -22.98 2.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.03 -71.23 1.3 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.425 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -160.95 -104.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -1.158 . . . . 0.0 109.433 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.1 ptm -165.64 -22.69 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 162.59 153.72 7.29 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 688' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 31.1 t -92.16 -161.71 0.85 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.342 -1.093 . . . . 0.0 109.396 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 689' ' ' LYS . . . . . 0.494 ' N ' ' OG ' ' B' ' 688' ' ' SER . 6.3 tmtt? -138.16 -61.1 0.61 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.371 -0.831 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.11 -72.78 0.57 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.43 -152.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.825 2.35 . . . . 0.0 111.932 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 694' ' ' LEU . 54.9 t0 -138.79 -24.32 0.92 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.673 -0.642 . . . . 0.0 109.826 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 65.05 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.622 -0.674 . . . . 0.0 109.716 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' B' ' 692' ' ' ASP . 23.0 tp -55.79 -48.55 75.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.022 -1.048 . . . . 0.0 110.652 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.02 -54.69 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.976 -1.078 . . . . 0.0 110.691 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.409 HG22 ' H ' ' B' ' 696' ' ' VAL . 6.4 m -64.39 -38.16 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 120.886 -1.134 . . . . 0.0 109.264 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 44.8 tp -52.8 -48.62 66.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 108.466 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 698' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -53.44 -52.84 58.14 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.558 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.5 t -56.77 -48.71 77.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.74 -49.39 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.381 -0.824 . . . . 0.0 109.3 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 704' ' ' ILE . . . . . 0.718 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 713' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.463 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 720' ' ' THR . . . . . 0.408 ' CG2' ' NH2' ' B' ' 724' ' ' ARG . 39.1 m -64.45 -23.96 67.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.17 -41.06 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -53.72 -25.57 19.09 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 -34.63 18.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.644 -0.66 . . . . 0.0 110.393 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 724' ' ' ARG . . . . . 0.408 ' NH2' ' CG2' ' B' ' 720' ' ' THR . 50.3 mmt-85 -46.49 -35.17 5.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 109.141 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -57.68 7.63 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 730' ' ' PHE . 1.6 tm-20 -60.69 -49.09 78.9 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -51.24 -41.78 60.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.47 -59.56 2.9 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -19.4 1.42 Allowed 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 109.116 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.4 t80 -71.83 -60.65 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 108.69 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.4 -26.48 66.72 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.68 -41.78 87.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.212 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.83 -42.69 94.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.0 109.46 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.58 -38.92 72.65 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.165 -0.959 . . . . 0.0 109.107 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -69.4 -41.5 76.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.11 -31.07 51.09 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.05 10.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.2 mmmt -65.9 -66.04 0.6 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.014 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 739' ' ' TRP . . . . . 0.414 ' C ' ' H ' ' B' ' 741' ' ' THR . 2.2 t90 -51.5 -21.49 2.47 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' B' ' 741' ' ' THR . 27.5 t70 -84.17 25.51 0.84 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 742' ' ' ALA . 0.2 OUTLIER 84.98 170.01 0.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' B' ' 741' ' ' THR . . . 156.85 -96.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 743' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' B' ' 744' ' ' ASN . 63.8 m-20 -106.42 12.39 29.76 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.472 ' OD1' HD21 ' B' ' 746' ' ' LEU . 57.2 t30 -39.39 100.66 0.22 Allowed Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 122.157 -0.339 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.85 11.04 2.19 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 C-N-CA 122.15 1.9 . . . . 0.0 113.191 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 746' ' ' LEU . . . . . 0.472 HD21 ' OD1' ' B' ' 744' ' ' ASN . 2.1 pp -96.58 -37.99 10.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 108.956 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -84.35 -41.21 16.99 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.2 tttp -41.46 -35.04 0.62 Allowed 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.405 0.622 . . . . 0.0 109.591 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.39 -73.95 0.23 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -176.39 -83.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -175.46 -29.47 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.901 0.858 . . . . 0.0 109.211 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 3.9 m -179.4 -165.98 0.08 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 80.5 m -123.36 -88.01 0.62 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.421 -0.799 . . . . 0.0 109.173 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.4 131.86 39.64 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 755' ' ' THR . . . . . 0.716 ' O ' HG22 ' B' ' 755' ' ' THR . 77.7 m -167.29 19.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.81 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 758' ' ' THR . 8.7 t-20 -137.39 55.99 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.631 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.4 mm -62.75 74.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 109.33 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 760' ' ' ARG . 10.8 p -146.23 -172.16 3.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.154 -0.966 . . . . 0.0 109.532 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 759' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' B' ' 760' ' ' ARG . 30.9 t80 34.71 -88.29 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.468 0.651 . . . . 0.0 111.277 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 758' ' ' THR . 51.9 mtt180 -34.36 100.63 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 CA-C-O 121.326 0.584 . . . . 0.0 110.734 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -62.49 -68.04 1.83 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 761' ' ' GLY . 17.9 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.313 -1.11 . . . . 0.0 109.407 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.77 2.668 . . . . 0.0 119.77 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -78.43 -26.17 46.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -1.135 . . . . 0.0 109.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 47.1 ttp -75.32 -74.57 0.2 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.424 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -161.61 155.83 27.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 961' ' ' GLU . 6.3 m -165.24 -161.04 0.51 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -1.128 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -69.25 6.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 959' ' ' SER . 37.2 mt-10 -88.48 6.3 38.35 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.72 -0.613 . . . . 0.0 109.447 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -68.71 113.32 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -172.26 -56.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.893 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.9 mt 46.71 66.81 5.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.381 -0.825 . . . . 0.0 110.155 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.89 135.5 35.93 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.79 2.327 . . . . 0.0 111.569 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 2.0 mt -80.86 -27.55 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 110.463 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.64 -51.46 65.36 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 122.77 1.272 . . . . 0.0 107.682 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -44.97 79.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.488 -1.233 . . . . 0.0 107.96 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.52 -44.72 90.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp -52.07 -49.92 62.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 980' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 980' ' ' LEU . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 984' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 987' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 988' ' ' TRP . . . . . 0.639 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -38.18 88.06 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 989' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.5 tptt -69.62 -37.43 76.84 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.673 0.749 . . . . 0.0 109.156 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 990' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.5 t -56.78 -2.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 O-C-N 121.618 -0.676 . . . . 0.0 109.203 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 991' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.4 -29.19 0.08 OUTLIER Glycine 0 N--CA 1.5 2.901 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 992' ' ' PHE . . . . . 0.492 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 87.0 t80 -79.4 -16.06 56.83 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.471 -1.017 . . . . 0.0 109.694 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -21.95 18.37 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 122.21 1.005 . . . . 0.0 109.359 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 994' ' ' LYS . . . . . 0.653 ' N ' ' HZ2' ' A' ' 994' ' ' LYS . 0.0 OUTLIER -73.02 -44.13 61.26 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-O 121.875 0.845 . . . . 0.0 109.204 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.9 -48.18 11.84 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.313 -0.867 . . . . 0.0 111.504 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 996' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 997' ' ' ARG . 40.6 t30 -61.2 6.19 0.05 Allowed 'General case' 0 C--N 1.282 -2.357 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.627 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 997' ' ' ARG . . . . . 0.614 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.3 OUTLIER -34.15 98.74 0.15 Allowed Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 93.5 Cg_endo -74.18 -9.13 21.7 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 116.656 1.752 . . . . 0.0 116.656 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 47.9 Cg_endo -89.91 -156.74 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 CA-C-N 122.414 1.898 . . . . 0.0 112.174 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1000 ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' 1000 ' ' LEU . 1.6 tt -82.67 105.66 13.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.255 -0.903 . . . . 0.0 109.255 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1001 ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' 1003 ' ' ASP . 10.1 mm-40 -142.66 4.32 1.52 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.288 -0.883 . . . . 0.0 108.79 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.71 35.39 0.1 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.324 -0.86 . . . . 0.0 109.476 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1003 ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' 1001 ' ' GLU . 46.3 t0 -111.77 115.56 29.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.607 -0.683 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -63.1 89.88 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.239 -0.913 . . . . 0.0 109.501 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -74.2 0.17 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.9 . . . . 0.0 108.864 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -70.12 72.42 0.43 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 169.47 -128.33 1.65 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.263 -1.139 . . . . 0.0 109.519 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.799 2.68 . . . . 0.0 119.799 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -79.76 155.13 28.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -1.157 . . . . 0.0 109.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 45.8 mtt -74.09 -13.43 60.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.413 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 169.72 -143.93 8.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 39.0 m -150.77 165.5 33.31 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.198 -1.177 . . . . 0.0 109.417 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -80.31 -37.66 32.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.221 -0.925 . . . . 0.0 109.667 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -51.49 -78.41 0.1 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.06 -152.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.638 2.225 . . . . 0.0 111.785 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 692' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' B' ' 694' ' ' LEU . 66.8 t0 -145.81 -29.2 0.42 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 109.549 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 63.4 -22.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.569 -0.707 . . . . 0.0 110.108 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 694' ' ' LEU . . . . . 0.578 ' H ' ' C ' ' B' ' 692' ' ' ASP . 27.2 tp -62.0 -43.53 98.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.62 -1.3 . . . . 0.0 110.317 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 62.1 t -60.77 -54.32 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.984 -1.072 . . . . 0.0 110.362 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.448 ' H ' HG22 ' B' ' 696' ' ' VAL . 3.4 m -67.1 -38.35 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.925 -1.109 . . . . 0.0 109.395 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.453 ' O ' ' SD ' ' B' ' 701' ' ' MET . 25.3 tp -52.43 -50.34 62.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.863 -1.148 . . . . 0.0 108.727 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.46 -50.94 64.23 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.217 -0.927 . . . . 0.0 108.856 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 39.1 p -59.24 -49.04 79.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 109.161 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 700' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.9 t -53.93 -50.94 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.413 -0.804 . . . . 0.0 109.691 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 705' ' ' LEU . . . . . 0.488 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 709' ' ' LEU . . . . . 0.414 HD23 HD23 ' B' ' 705' ' ' LEU . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 714' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 715' ' ' TRP . . . . . 0.436 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 717' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 718' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 719' ' ' ILE . . . . . 0.639 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m -71.97 -29.16 63.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.6 -43.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.935 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -51.7 -26.91 10.24 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.792 -1.192 . . . . 0.0 108.068 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.78 -35.95 17.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.552 -0.718 . . . . 0.0 110.155 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -46.24 -32.53 3.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.981 -1.074 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -58.99 3.36 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.251 -0.906 . . . . 0.0 109.197 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 726' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 730' ' ' PHE . 69.9 tt0 -62.43 -48.3 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -50.21 -41.26 49.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.25 -61.63 1.7 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -20.56 1.04 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.415 -0.803 . . . . 0.0 109.397 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 730' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' B' ' 726' ' ' GLU . 54.0 t80 -73.15 -60.08 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.75 -23.81 66.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.263 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.98 -43.43 71.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.518 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.51 -39.41 93.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -67.22 -30.02 69.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.237 -0.915 . . . . 0.0 109.747 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -83.43 -39.93 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.277 -0.889 . . . . 0.0 109.631 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.02 -35.5 74.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -54.1 -34.6 60.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.381 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 738' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.3 mmmt -67.96 -64.62 0.82 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.257 -0.902 . . . . 0.0 110.146 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -51.21 -20.47 1.59 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 740' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.8 t70 -77.89 9.75 3.34 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 741' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' B' ' 742' ' ' ALA . 1.8 t 177.63 -136.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 742' ' ' ALA . . . . . 0.561 ' N ' ' OG1' ' B' ' 741' ' ' THR . . . 55.14 -134.16 1.55 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -72.23 30.23 0.05 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.392 -0.817 . . . . 0.0 109.763 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 744' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' B' ' 742' ' ' ALA . 5.0 t-20 -51.2 111.93 2.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.993 . . . . 0.0 108.736 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.32 0.74 9.77 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.811 1.674 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.73 -17.21 30.37 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 747' ' ' TYR . . . . . 0.46 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 0.3 OUTLIER -84.66 -50.12 7.92 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.4 tttp -41.35 -35.62 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.335 0.588 . . . . 0.0 109.906 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.48 -55.95 25.55 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 46.67 30.06 1.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.467 -0.771 . . . . 0.0 109.866 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 23.2 p 51.73 61.69 3.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 108.971 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 9.3 m -43.12 146.07 0.46 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.039 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.2 m -56.79 -26.89 58.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.0 109.822 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 754' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 39.3 t80 -76.94 5.79 7.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 109.462 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 37.2 m -93.93 -10.1 34.91 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 756' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' B' ' 758' ' ' THR . 11.0 t-20 -125.44 50.41 1.81 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 757' ' ' ILE . . . . . 0.815 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -43.7 98.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.986 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 758' ' ' THR . . . . . 0.457 HG22 ' O ' ' B' ' 758' ' ' THR . 26.2 m -160.63 5.02 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 109.058 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -136.89 33.32 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 760' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' B' ' 761' ' ' GLY . 69.1 mtp180 -54.87 138.27 43.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.378 -0.826 . . . . 0.0 109.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 761' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' B' ' 762' ' ' THR . . . -63.18 -128.21 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 762' ' ' THR . . . . . 0.423 ' OXT' ' O ' ' B' ' 761' ' ' GLY . 24.0 m . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.171 . . . . 0.0 109.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.784 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.537 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 977' ' ' LEU . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.54 ' HE1' HD12 ' B' ' 712' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' B' ' 719' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 121.171 0.51 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.784 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.54 HD12 ' HE1' ' A' ' 987' ' ' MET . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 713' ' ' LEU . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 970' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.422 HD22 HG22 ' B' ' 704' ' ' ILE . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.531 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.56 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.468 ' SD ' HD12 ' B' ' 704' ' ' ILE . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.468 HD12 ' SD ' ' B' ' 701' ' ' MET . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 984' ' ' VAL . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 979' ' ' LEU . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.728 HG13 ' CG ' ' B' ' 715' ' ' TRP . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.918 ' SD ' HD11 ' B' ' 719' ' ' ILE . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.267 0.556 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.475 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.728 ' CG ' HG13 ' A' ' 984' ' ' VAL . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.711 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.918 HD11 ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 983' ' ' LEU . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 979' ' ' LEU . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.602 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.226 0.536 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.442 ' CD1' HG13 ' A' ' 984' ' ' VAL . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.421 ' N ' HD12 ' B' ' 717' ' ' LEU . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.602 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.631 HD23 ' O ' ' A' ' 974' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 983' ' ' LEU . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.459 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.569 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.25 0.548 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.459 ' NE1' HG13 ' A' ' 984' ' ' VAL . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.569 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.4 tt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 979' ' ' LEU . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 121.46 0.648 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' HG13 ' A' ' 984' ' ' VAL . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 717' ' ' LEU . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 974' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.432 HD11 HD13 ' A' ' 983' ' ' LEU . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 979' ' ' LEU . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.523 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 84.9 t . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.26 0.553 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 984' ' ' VAL . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m . . . . . 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.3 tt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.802 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 974' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.539 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.606 HD22 HG22 ' B' ' 704' ' ' ILE . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 980' ' ' LEU . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.802 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 980' ' ' LEU . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.58 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.718 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.735 HD22 HG22 ' B' ' 704' ' ' ILE . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.438 ' HG ' HD23 ' B' ' 712' ' ' LEU . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.542 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 979' ' ' LEU . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.465 ' O ' HD13 ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 984' ' ' VAL . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.405 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.535 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.5 tt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.665 HD22 HG22 ' B' ' 704' ' ' ILE . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' B' ' 712' ' ' LEU . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.429 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.567 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.568 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.399 0.619 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.665 HG22 HD22 ' A' ' 979' ' ' LEU . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.502 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.452 HD12 ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.429 ' NE1' HG13 ' A' ' 984' ' ' VAL . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.436 ' N ' HD12 ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.568 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.666 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.755 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 977' ' ' LEU . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.738 HD22 HG22 ' B' ' 704' ' ' ILE . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.755 HG23 ' HA2' ' A' ' 976' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.526 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.556 HD23 ' C ' ' B' ' 712' ' ' LEU . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.827 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.3 tt . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 974' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 711' ' ' ALA . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.857 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.009 0.433 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 980' ' ' LEU . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.46 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.46 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.857 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 978' ' ' LEU . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.735 HG13 ' CD1' ' B' ' 715' ' ' TRP . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.758 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.459 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.735 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 718' ' ' LEU . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.837 HD11 ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.741 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.477 HD13 HG22 ' B' ' 704' ' ' ILE . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.47 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 985' ' ' LEU . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.573 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.741 HG23 ' HA2' ' A' ' 976' ' ' GLY . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.463 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.458 ' N ' HD12 ' B' ' 717' ' ' LEU . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 970' ' ' LEU . 1.9 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.413 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.747 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.316 0.579 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.438 HG23 ' HA2' ' A' ' 976' ' ' GLY . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' B' ' 700' ' ' VAL . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.608 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.621 HD11 HG23 ' A' ' 984' ' ' VAL . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 980' ' ' LEU . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.702 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 972' ' ' GLY . 1.9 t . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.608 HG23 ' HA2' ' A' ' 976' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 980' ' ' LEU . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.499 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.414 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.522 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.956 0.408 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.714 HG23 ' HA2' ' A' ' 976' ' ' GLY . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.504 ' O ' HD23 ' B' ' 709' ' ' LEU . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.467 ' CH2' HD22 ' B' ' 718' ' ' LEU . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.467 HD22 ' CH2' ' B' ' 715' ' ' TRP . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp . . . . . 0 C--O 1.208 -1.103 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.422 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.749 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.803 HD22 HG22 ' B' ' 704' ' ' ILE . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.427 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.803 HG22 HD22 ' A' ' 979' ' ' LEU . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.471 ' NE1' HG13 ' A' ' 984' ' ' VAL . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.718 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . 0.599 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 704' ' ' ILE . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.463 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . 0.718 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.463 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 974' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 980' ' ' LEU . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' TRP . . . . . 0.639 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 121.43 0.633 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 705' ' ' LEU . . . . . 0.488 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 709' ' ' LEU . . . . . 0.414 HD23 HD23 ' B' ' 705' ' ' LEU . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 714' ' ' ILE . . . . . 0.415 HD12 ' N ' ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 715' ' ' TRP . . . . . 0.436 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 717' ' ' LEU . . . . . 0.436 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 718' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 719' ' ' ILE . . . . . 0.639 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m . . . . . 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.0 0 N-CA-C 119.719 2.648 . . . . 0.0 119.719 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -168.5 -122.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.14 . . . . 0.0 109.441 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 28.6 ttm -50.35 111.58 0.55 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 168.54 -45.98 0.23 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 958' ' ' GLY . 52.6 p 50.19 94.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.214 -1.168 . . . . 0.0 109.442 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.58 6.29 3.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.275 -0.891 . . . . 0.0 109.361 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 963' ' ' ALA . 62.7 mt-10 -97.63 33.66 2.01 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.414 HH11 ' HB2' ' A' ' 962' ' ' ARG . 23.0 ttp-105 -49.28 92.22 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -164.13 -33.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.338 -0.851 . . . . 0.0 109.162 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 47.94 67.16 4.76 Favored Pre-proline 0 N--CA 1.487 1.387 0 O-C-N 121.324 -0.86 . . . . 0.0 110.016 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -50.66 107.14 0.15 Allowed 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.875 2.384 . . . . 0.0 111.702 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.27 -28.29 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.262 -0.899 . . . . 0.0 110.353 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -50.85 -51.39 51.83 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.733 1.254 . . . . 0.0 107.714 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -47.38 74.53 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.063 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 46.6 t -65.72 -44.88 93.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.6 tp -57.33 -50.58 72.5 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.745 0.783 . . . . 0.0 109.213 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.73 -34.57 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.784 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.27 -47.39 10.89 Favored Glycine 0 C--N 1.29 -2.001 0 N-CA-C 107.755 -2.138 . . . . 0.0 107.755 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -30.0 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.587 -0.949 . . . . 0.0 108.707 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.4 OUTLIER -66.22 -43.07 87.72 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.42 -17.39 76.15 Favored Glycine 0 N--CA 1.48 1.606 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.537 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.44 -26.21 74.5 Favored Glycine 0 C--N 1.291 -1.934 0 N-CA-C 106.996 -2.442 . . . . 0.0 106.996 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 977' ' ' LEU . 4.1 mm? -74.47 -36.97 63.34 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.588 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -65.41 -43.26 91.11 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.84 -42.61 73.38 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 120.951 -1.093 . . . . 0.0 108.514 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.13 -40.95 47.81 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.49 -0.756 . . . . 0.0 109.532 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.0 m -73.21 -42.41 62.67 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.46 -0.775 . . . . 0.0 111.974 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.2 mt -71.54 -31.18 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.126 -0.984 . . . . 0.0 108.89 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.434 ' O ' ' HG2' ' A' ' 987' ' ' MET . 2.0 tp -72.31 -52.04 18.04 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' ' 988' ' ' TRP . 1.9 t -49.85 -39.56 15.23 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 13.5 tp -74.96 -46.6 34.41 Favored 'General case' 0 C--N 1.285 -2.232 0 C-N-CA 119.392 -0.923 . . . . 0.0 110.659 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.96 -37.07 73.49 Favored 'General case' 0 C--N 1.276 -2.596 0 C-N-CA 118.711 -1.195 . . . . 0.0 109.926 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.54 ' HE1' HD12 ' B' ' 712' ' ' LEU . 14.8 ptp -74.76 -40.27 61.32 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' B' ' 719' ' ' ILE . 0.2 OUTLIER -56.67 -38.27 71.98 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 tptt -68.98 -41.72 77.5 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 121.809 0.814 . . . . 0.0 109.315 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.539 ' O ' HG12 ' A' ' 990' ' ' VAL . 18.1 t -56.24 -1.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 O-C-N 121.476 -0.765 . . . . 0.0 109.36 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.32 -27.64 0.21 Allowed Glycine 0 N--CA 1.501 3.012 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.403 ' O ' ' CD2' ' A' ' 992' ' ' PHE . 53.6 t80 -85.45 -12.82 51.0 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.568 -0.96 . . . . 0.0 109.771 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.08 -7.83 22.85 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 122.535 1.159 . . . . 0.0 108.013 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -80.2 -43.43 21.52 Favored 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.247 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.671 ' C ' ' H ' ' A' ' 997' ' ' ARG . 67.7 mtp180 -77.88 -21.65 50.96 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.605 0.717 . . . . 0.0 111.907 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.53 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 8.2 t30 -64.48 17.15 0.02 OUTLIER 'General case' 0 C--N 1.276 -2.593 0 C-N-CA 120.027 -0.669 . . . . 0.0 109.479 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.5 mmt85 -18.88 88.03 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 86.5 Cg_endo -82.94 5.87 6.16 Favored 'Trans proline' 0 CA--C 1.568 2.218 0 N-CA-C 116.15 1.558 . . . . 0.0 116.15 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 4.0 Cg_endo -97.96 39.93 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 CA-C-N 122.579 1.957 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 999' ' ' PRO . 14.2 tp 40.82 86.05 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 109.265 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -89.01 -108.48 0.08 Allowed 'General case' 0 C--N 1.308 -1.225 0 O-C-N 121.057 -1.027 . . . . 0.0 110.345 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.98 120.14 13.75 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.259 -0.901 . . . . 0.0 110.318 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' 1004 ' ' ASP . 0.9 OUTLIER -68.55 -104.66 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.386 -0.821 . . . . 0.0 109.135 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' 1005 ' ' GLU . 39.0 t0 -57.73 -156.89 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.812 -0.555 . . . . 0.0 109.54 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.508 ' H ' ' CG ' ' A' 1004 ' ' ASP . 6.6 mm-40 -53.96 -172.58 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.03 -1.044 . . . . 0.0 109.812 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' 1006 ' ' GLU . 4.9 mp0 -80.14 134.05 36.12 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.431 -0.793 . . . . 0.0 109.635 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 159.0 123.84 0.73 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.229 -1.159 . . . . 0.0 109.598 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.53 4.907 0 N-CA-C 119.766 2.666 . . . . 0.0 119.766 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -62.76 77.96 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -1.124 . . . . 0.0 109.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . 0.494 ' N ' ' O ' ' B' ' 684' ' ' GLY . 45.3 mtt 51.99 75.01 0.23 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.362 -0.837 . . . . 0.0 109.822 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.19 -174.71 46.73 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 89.4 p -64.79 -150.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.428 -1.042 . . . . 0.0 109.665 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -142.6 -51.07 0.37 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.3 -0.875 . . . . 0.0 109.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.55 -58.78 12.67 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 52.1 Cg_exo -54.52 -131.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.718 2.279 . . . . 0.0 112.031 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.665 ' O ' HG22 ' B' ' 693' ' ' ILE . 38.7 t0 -156.11 -31.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.159 -0.963 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.665 HG22 ' O ' ' B' ' 692' ' ' ASP . 4.0 tp 50.37 -1.63 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 CA-C-O 121.329 0.585 . . . . 0.0 110.78 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.6 -52.64 9.32 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.473 -1.392 . . . . 0.0 109.082 179.381 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 36.9 t -57.15 -53.27 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.517 -0.74 . . . . 0.0 110.072 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 697' ' ' LEU . 3.4 m -59.21 -41.99 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 109.537 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.462 ' N ' HG23 ' B' ' 696' ' ' VAL . 49.7 tp -66.17 -38.85 89.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.859 . . . . 0.0 109.243 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -45.15 66.82 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.294 -0.879 . . . . 0.0 108.674 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 9.4 t -64.53 -46.89 80.91 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.317 -0.864 . . . . 0.0 109.398 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.58 -52.07 36.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.506 -0.746 . . . . 0.0 109.726 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.41 -41.85 69.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.346 -0.846 . . . . 0.0 109.63 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.67 -48.39 50.09 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.085 -1.606 . . . . 0.0 109.085 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.29 -51.49 58.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.357 -1.084 . . . . 0.0 109.643 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.784 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.1 mp -52.86 -57.13 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.75 -1.219 . . . . 0.0 108.257 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -55.06 -42.08 72.3 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.702 -0.624 . . . . 0.0 109.784 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.0 mp -71.46 -42.4 68.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.218 -0.926 . . . . 0.0 109.798 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.39 -30.64 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.087 -1.008 . . . . 0.0 109.696 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.25 -31.78 27.34 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.48 -31.89 70.44 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.62 -46.56 53.54 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.44 -31.68 70.15 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.54 HD12 ' HE1' ' A' ' 987' ' ' MET . 2.3 tt -54.47 -52.95 60.28 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.434 HD23 ' O ' ' B' ' 713' ' ' LEU . 3.2 tt -53.82 -54.54 36.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.727 -0.608 . . . . 0.0 109.842 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.56 -55.97 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 120.92 -1.112 . . . . 0.0 110.578 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.442 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -63.99 -29.84 70.97 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.078 -1.014 . . . . 0.0 110.508 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -36.56 77.28 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.785 -1.197 . . . . 0.0 109.135 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.99 -33.93 59.73 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -59.8 -44.34 94.0 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.691 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -77.44 -34.55 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.819 -1.176 . . . . 0.0 109.905 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 89.2 m -76.33 -42.96 43.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.843 -1.161 . . . . 0.0 110.68 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.042 -1.037 . . . . 0.0 110.506 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . 0.408 ' NE2' ' CD1' ' B' ' 718' ' ' LEU . 6.0 m-70 -53.58 -29.01 35.35 Favored 'General case' 0 C--N 1.298 -1.63 0 O-C-N 120.81 -1.181 . . . . 0.0 108.954 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -87.99 -36.47 17.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.335 -0.853 . . . . 0.0 111.246 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -44.44 -33.3 1.64 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.885 -1.135 . . . . 0.0 110.478 -178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -59.09 3.97 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.888 -1.132 . . . . 0.0 109.567 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' B' ' 730' ' ' PHE . 33.5 tt0 -64.28 -47.19 80.49 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -49.8 -40.12 40.64 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.03 -60.03 2.45 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.52 -25.22 2.53 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.414 -0.803 . . . . 0.0 109.377 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' B' ' 726' ' ' GLU . 30.8 t80 -70.36 -60.75 2.08 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -0.947 . . . . 0.0 109.258 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.84 -24.01 67.41 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.724 -0.61 . . . . 0.0 109.53 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -66.1 -44.49 84.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -0.93 . . . . 0.0 109.598 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.98 -40.72 83.07 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.642 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -64.66 -24.08 67.46 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.245 -0.909 . . . . 0.0 109.909 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.52 -48.66 12.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 0.0 109.918 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' B' ' 740' ' ' ASP . 53.6 mtp85 -72.84 -42.15 64.05 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.192 -0.942 . . . . 0.0 110.139 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.2 -45.08 22.9 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -0.979 . . . . 0.0 109.893 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -64.66 -68.35 0.36 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -52.0 -19.65 1.96 Allowed 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.43 ' N ' ' C ' ' B' ' 738' ' ' LYS . 18.3 t70 -104.47 28.39 7.0 Favored 'General case' 0 N--CA 1.499 1.978 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.065 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 740' ' ' ASP . 91.1 m -166.49 -20.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.163 -0.961 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -84.77 11.82 8.44 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.465 0.65 . . . . 0.0 109.497 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -169.52 36.48 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.527 -0.733 . . . . 0.0 110.137 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -138.91 66.36 39.85 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.12 -0.987 . . . . 0.0 110.395 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -90.99 16.65 1.56 Allowed 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 123.007 2.471 . . . . 0.0 112.04 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.412 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.0 pp -83.63 -37.93 22.22 Favored 'General case' 0 C--N 1.298 -1.664 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.412 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.2 OUTLIER -56.28 -55.64 30.84 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -44.7 -36.44 3.14 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.355 0.598 . . . . 0.0 109.691 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -65.02 -62.95 1.24 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.323 -0.861 . . . . 0.0 109.072 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -175.75 -76.89 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.439 -0.788 . . . . 0.0 109.225 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.51 28.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.356 -0.84 . . . . 0.0 109.45 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 3.2 m 179.41 172.82 0.88 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.395 -0.816 . . . . 0.0 109.494 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 94.1 m -155.93 -84.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.384 -0.822 . . . . 0.0 109.073 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' B' ' 756' ' ' ASN . 11.1 t80 -70.91 -143.49 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.085 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.5 t 39.44 22.95 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 121.23 0.538 . . . . 0.0 110.496 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 754' ' ' PHE . 0.4 OUTLIER -105.55 34.56 3.21 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.473 -0.767 . . . . 0.0 109.1 179.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.89 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.8 mp -51.71 126.88 7.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.363 -0.836 . . . . 0.0 109.617 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.5 t -171.66 -164.43 0.32 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.351 -0.843 . . . . 0.0 109.401 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.18 112.33 1.5 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.194 -0.941 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -80.92 -162.6 0.5 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.88 -95.53 0.1 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.506 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.961 0 N-CA-C 119.754 2.661 . . . . 0.0 119.754 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.88 34.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.229 -1.159 . . . . 0.0 109.391 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 21.4 mmt -80.0 39.86 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.324 -0.86 . . . . 0.0 109.419 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 176.98 156.18 15.23 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 60.5 p -171.41 131.23 0.74 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.26 -1.141 . . . . 0.0 109.385 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.442 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 8.7 mp0 -80.67 7.59 9.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.231 -0.918 . . . . 0.0 109.586 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 962' ' ' ARG . 39.2 mt-10 -91.17 -82.2 0.3 Allowed 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 961' ' ' GLU . 37.4 mmt-85 38.3 -110.48 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.865 -0.522 . . . . 0.0 110.399 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -179.82 28.94 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.231 -0.918 . . . . 0.0 109.1 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.464 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 14.5 mt 44.33 62.93 9.2 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.369 -0.832 . . . . 0.0 110.464 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 968' ' ' TRP . 52.3 Cg_exo -56.39 6.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 123.092 2.528 . . . . 0.0 113.264 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.448 ' H ' ' C ' ' A' ' 964' ' ' ILE . 4.8 mm -46.28 -22.53 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.009 -1.057 . . . . 0.0 108.328 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -62.76 -51.53 66.78 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 177.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -56.94 -44.32 82.41 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.093 -1.412 . . . . 0.0 107.309 178.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.0 t -64.76 -46.13 93.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 970' ' ' LEU . 0.2 OUTLIER -56.61 -50.93 70.53 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.996 0.903 . . . . 0.0 109.08 179.386 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.12 -36.21 56.09 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -75.07 -45.46 20.05 Favored Glycine 0 C--N 1.289 -2.044 0 N-CA-C 108.004 -2.038 . . . . 0.0 108.004 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.19 -26.85 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.575 -0.956 . . . . 0.0 108.453 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.609 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.0 tt -71.88 -45.06 62.62 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.44 -18.82 77.25 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.307 -1.425 . . . . 0.0 109.584 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -67.67 -24.21 74.0 Favored Glycine 0 C--N 1.289 -2.029 0 N-CA-C 106.592 -2.603 . . . . 0.0 106.592 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.6 tp -74.57 -45.96 41.98 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 105.032 -2.211 . . . . 0.0 105.032 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -57.62 -42.79 84.0 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.422 HD22 HG22 ' B' ' 704' ' ' ILE . 1.8 tp -69.53 -44.52 70.81 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.39 -40.1 48.85 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.449 -0.782 . . . . 0.0 109.628 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.9 p -72.8 -40.26 66.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.765 -177.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.25 -30.99 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.108 -0.995 . . . . 0.0 109.505 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.55 -43.32 49.28 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.4 t -56.43 -40.44 67.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.8 tp -75.59 -41.38 54.69 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-O 121.749 0.785 . . . . 0.0 109.855 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -60.06 -36.51 77.49 Favored 'General case' 0 C--N 1.28 -2.444 0 C-N-CA 118.617 -1.233 . . . . 0.0 109.516 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.531 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.29 -35.79 63.74 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 118.269 -1.372 . . . . 0.0 107.55 178.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.56 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.84 -38.14 89.99 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -68.83 -41.46 78.52 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.835 0.826 . . . . 0.0 108.919 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 990' ' ' VAL . 13.7 t -57.11 -2.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.032 0 C-N-CA 119.93 -0.708 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -139.28 -27.15 0.25 Allowed Glycine 0 N--CA 1.501 3.005 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.3 t80 -86.12 -15.35 41.38 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.608 -0.937 . . . . 0.0 109.848 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.25 -14.58 18.4 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.377 1.084 . . . . 0.0 108.358 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -71.41 -46.71 59.49 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 122.109 0.956 . . . . 0.0 108.465 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 997' ' ' ARG . 24.6 mtp85 -77.96 -130.17 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.457 0.646 . . . . 0.0 110.281 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 997' ' ' ARG . 2.7 t-20 45.57 19.71 0.05 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.547 -0.721 . . . . 0.0 109.62 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 996' ' ' ASN . 5.4 mmt-85 -22.13 91.77 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.073 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 47.2 Cg_endo -89.67 14.51 2.14 Favored 'Trans proline' 0 CA--C 1.565 2.051 0 C-N-CA 122.101 1.868 . . . . 0.0 116.096 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.6 Cg_endo -88.3 -156.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 CA-C-N 122.239 1.835 . . . . 0.0 111.794 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.8 tp -91.15 63.31 5.02 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.046 -1.034 . . . . 0.0 109.056 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -63.55 142.43 58.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.296 -0.878 . . . . 0.0 110.037 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.55 154.67 19.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.312 -0.868 . . . . 0.0 109.233 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -126.0 67.32 1.19 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.619 -0.675 . . . . 0.0 109.339 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' 1005 ' ' GLU . 7.6 p-10 -117.55 -121.87 0.3 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.479 -0.763 . . . . 0.0 109.898 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1006 ' ' GLU . 27.1 mt-10 -39.98 -65.68 0.38 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.752 -0.592 . . . . 0.0 110.456 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' 1005 ' ' GLU . 40.5 mt-10 41.03 -164.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.603 -0.685 . . . . 0.0 110.362 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 87.45 -88.22 1.57 Allowed Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.248 -1.148 . . . . 0.0 109.469 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.941 0 N-CA-C 119.763 2.665 . . . . 0.0 119.763 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.67 57.45 6.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.236 -1.155 . . . . 0.0 109.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 13.8 ptp -71.09 -173.94 0.9 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.304 -0.872 . . . . 0.0 109.574 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -166.05 -38.17 0.02 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 15.0 m -150.68 108.44 3.68 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -1.141 . . . . 0.0 109.218 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.433 ' HD3' ' H ' ' B' ' 689' ' ' LYS . 1.5 mppt? -82.71 -37.43 24.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.194 -0.941 . . . . 0.0 109.549 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -46.44 -72.14 0.43 Allowed Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.67 -152.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.755 2.303 . . . . 0.0 111.748 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' B' ' 694' ' ' LEU . 7.7 t70 -119.18 -20.12 8.11 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.581 HG22 ' O ' ' B' ' 692' ' ' ASP . 19.4 tt 50.58 -19.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.318 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.624 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.67 -52.53 10.3 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.283 -1.511 . . . . 0.0 109.565 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 42.6 t -53.59 -53.61 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.218 -0.926 . . . . 0.0 110.405 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 697' ' ' LEU . 17.2 m -60.5 -44.38 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.08 -1.013 . . . . 0.0 109.557 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.573 ' N ' HG23 ' B' ' 696' ' ' VAL . 58.4 tp -51.97 -51.57 56.3 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.471 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -50.9 -51.2 54.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.301 -0.874 . . . . 0.0 109.195 -179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 55.1 p -61.08 -49.45 77.28 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.266 -0.896 . . . . 0.0 109.192 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.95 -50.92 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.392 -0.818 . . . . 0.0 109.378 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.468 ' SD ' HD12 ' B' ' 704' ' ' ILE . 9.7 mmt -63.85 -33.65 76.17 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.047 -1.033 . . . . 0.0 108.885 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -59.08 -36.5 88.76 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 108.18 -1.968 . . . . 0.0 108.18 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -63.83 -45.3 90.18 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.547 -0.972 . . . . 0.0 108.651 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.468 HD12 ' SD ' ' B' ' 701' ' ' MET . 30.4 mt -52.62 -51.04 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -62.84 -44.42 96.19 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.224 0.535 . . . . 0.0 110.161 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.39 -40.72 67.01 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.202 -0.937 . . . . 0.0 110.343 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.3 mt -57.92 -35.99 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.016 -1.052 . . . . 0.0 109.575 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.52 -36.97 15.2 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.13 -31.68 73.0 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.37 -44.73 58.03 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.62 70.0 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.45 -0.781 . . . . 0.0 108.951 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tt -57.97 -53.15 61.49 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 16.3 tp -52.04 -53.22 44.64 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.771 -0.58 . . . . 0.0 109.866 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.83 -46.16 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.034 -1.041 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.408 ' CD1' HG13 ' A' ' 984' ' ' VAL . 27.9 t-105 -67.27 -25.05 65.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.478 -0.763 . . . . 0.0 109.875 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -70.94 -46.29 62.68 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.138 -0.976 . . . . 0.0 109.266 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.32 -41.15 88.42 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.28 -39.5 90.63 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.304 -0.872 . . . . 0.0 109.759 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -72.06 -32.53 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 119.453 -0.899 . . . . 0.0 108.767 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 46.8 m -71.39 -23.37 61.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.139 -0.976 . . . . 0.0 109.014 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.8 -40.13 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.244 -0.91 . . . . 0.0 109.67 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -50.71 -32.23 18.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.916 -1.115 . . . . 0.0 108.771 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -87.53 -31.45 19.92 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.501 -0.749 . . . . 0.0 110.685 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -46.56 -34.46 4.93 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.914 -1.116 . . . . 0.0 109.561 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -58.74 5.01 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.188 -0.945 . . . . 0.0 109.24 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' B' ' 730' ' ' PHE . 34.2 tt0 -63.9 -45.81 87.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.09 -41.21 47.82 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.29 -60.92 2.02 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -21.25 1.9 Allowed 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.418 -0.801 . . . . 0.0 109.406 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' B' ' 726' ' ' GLU . 74.5 t80 -73.32 -60.19 2.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.221 -0.924 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.92 -24.07 65.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.053 -1.03 . . . . 0.0 109.192 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -71.81 -48.46 46.27 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.275 -0.891 . . . . 0.0 109.375 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -57.07 -38.06 72.75 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.369 -0.832 . . . . 0.0 109.678 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -65.45 -41.25 93.61 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.149 -0.969 . . . . 0.0 109.818 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -72.76 -37.49 67.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.103 -0.998 . . . . 0.0 110.013 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -58.27 -46.87 85.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 0.0 109.978 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.71 -37.53 5.96 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.188 -0.945 . . . . 0.0 109.807 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -71.46 -64.83 0.84 Allowed 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.886 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 741' ' ' THR . 15.5 t-105 -51.34 -20.66 1.81 Allowed 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.484 ' O ' HG23 ' B' ' 741' ' ' THR . 13.3 t70 -72.9 10.28 0.94 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.617 0.722 . . . . 0.0 109.217 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.484 HG23 ' O ' ' B' ' 740' ' ' ASP . 25.3 p -157.86 -173.78 4.53 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 48.78 15.93 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 109.179 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 741' ' ' THR . 1.5 m120 -150.31 12.11 0.72 Allowed 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -139.11 66.58 38.85 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.578 -0.701 . . . . 0.0 109.825 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -92.57 23.31 0.55 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 123.026 2.484 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.439 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.2 pp -80.63 -40.76 25.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.417 -0.802 . . . . 0.0 109.457 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.439 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.1 OUTLIER -71.36 -55.28 8.31 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.389 -0.819 . . . . 0.0 108.875 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 747' ' ' TYR . 3.5 ttpm? -41.24 -37.1 0.88 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.479 0.657 . . . . 0.0 109.682 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.07 -67.21 0.73 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -178.78 -79.15 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.497 -0.752 . . . . 0.0 109.034 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.461 ' O ' ' CB ' ' B' ' 752' ' ' SER . 0.1 OUTLIER 178.4 26.66 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.559 -0.713 . . . . 0.0 109.61 179.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.7 OUTLIER 166.37 -168.06 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.295 -0.878 . . . . 0.0 109.123 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' B' ' 756' ' ' ASN . 47.9 m -156.29 -36.42 0.08 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.332 -0.855 . . . . 0.0 109.385 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.4 t80 -90.23 11.7 20.34 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.803 0.811 . . . . 0.0 109.378 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.412 ' C ' ' H ' ' B' ' 757' ' ' ILE . 70.4 m -87.78 -19.24 27.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.766 -0.584 . . . . 0.0 109.855 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' B' ' 756' ' ' ASN . 0.8 OUTLIER -74.74 11.48 1.04 Allowed 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.061 -1.025 . . . . 0.0 109.629 -179.541 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' B' ' 755' ' ' THR . 11.9 mm -98.37 118.53 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.507 -0.745 . . . . 0.0 109.365 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 7.4 m -162.66 161.67 26.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.521 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -59.67 127.23 30.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.55 98.9 3.38 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.311 -0.868 . . . . 0.0 109.039 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 59.58 -139.76 48.37 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.278 -1.131 . . . . 0.0 109.309 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.784 2.673 . . . . 0.0 119.784 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 50.69 70.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.267 -1.137 . . . . 0.0 109.346 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.8 ttm -76.88 111.03 11.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.397 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 67.58 -174.21 28.48 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 960' ' ' GLU . 1.7 p -68.77 -148.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.136 -1.214 . . . . 0.0 109.467 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.533 ' N ' ' OG ' ' A' ' 959' ' ' SER . 44.8 mt-10 -81.74 -82.54 0.13 Allowed 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 122.024 0.916 . . . . 0.0 110.002 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 962' ' ' ARG . 62.7 mt-10 -100.71 39.32 1.39 Allowed 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.953 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 961' ' ' GLU . 6.6 tpt180 -60.63 -149.38 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.176 -0.952 . . . . 0.0 109.237 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -165.92 15.75 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 110.241 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.3 mt 44.69 66.97 4.48 Favored Pre-proline 0 N--CA 1.493 1.721 0 O-C-N 121.173 -0.955 . . . . 0.0 109.83 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -47.67 87.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.272 2.648 . . . . 0.0 112.99 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.98 -22.72 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.219 -0.925 . . . . 0.0 109.581 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -50.0 41.88 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -53.54 -54.56 35.5 Favored 'General case' 0 C--N 1.284 -2.25 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.343 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.22 -44.19 97.89 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -57.31 -51.95 67.3 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.875 0.845 . . . . 0.0 109.273 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.65 -34.29 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.19 -44.28 18.48 Favored Glycine 0 C--N 1.29 -1.976 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.0 -28.71 45.41 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.1 tt -68.39 -38.65 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.72 -16.95 77.92 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.45 75.49 Favored Glycine 0 C--N 1.288 -2.137 0 N-CA-C 106.816 -2.513 . . . . 0.0 106.816 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.66 -36.05 60.22 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.44 -42.7 92.1 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -69.43 -41.69 75.97 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 984' ' ' VAL . 8.1 tt -50.85 -41.6 58.04 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.533 -0.729 . . . . 0.0 109.525 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 24.7 p -73.28 -41.12 63.98 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.54 -0.864 . . . . 0.0 111.731 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.99 -31.81 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.057 -1.027 . . . . 0.0 109.657 -178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 979' ' ' LEU . 5.6 tp -76.3 -45.9 30.29 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.728 HG13 ' CG ' ' B' ' 715' ' ' TRP . 47.0 t -62.67 -39.16 83.66 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.03 -44.62 38.41 Favored 'General case' 0 C--N 1.295 -1.794 0 C-N-CA 119.102 -1.039 . . . . 0.0 110.015 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.278 -2.521 0 C-N-CA 118.885 -1.126 . . . . 0.0 109.934 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.918 ' SD ' HD11 ' B' ' 719' ' ' ILE . 0.4 OUTLIER -75.82 -32.87 60.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 118.093 -1.443 . . . . 0.0 108.265 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.601 ' CD1' ' NE1' ' B' ' 715' ' ' TRP . 0.1 OUTLIER -66.76 -36.87 83.44 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -67.53 -38.86 84.85 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.871 0.843 . . . . 0.0 108.947 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.5 t -55.62 -2.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.72 -28.89 0.09 OUTLIER Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.58 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 90.0 t80 -80.57 -16.66 53.6 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.496 -1.002 . . . . 0.0 109.742 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -87.02 -28.56 22.55 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 122.098 0.951 . . . . 0.0 108.85 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -55.64 -44.49 77.2 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 52.3 mtp85 -85.6 -127.16 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.423 0.63 . . . . 0.0 110.003 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.9 t30 46.24 49.72 12.56 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 122.034 0.921 . . . . 0.0 109.239 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.463 ' C ' ' HD2' ' A' ' 999' ' ' PRO . 7.2 mmt180 -105.37 94.07 7.76 Favored Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.605 -0.685 . . . . 0.0 111.867 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.7 Cg_endo -85.86 10.55 3.64 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 C-N-CA 122.06 1.84 . . . . 0.0 116.309 176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 42.6 Cg_endo -88.8 -159.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.49 1.3 0 CA-C-N 122.379 1.885 . . . . 0.0 111.117 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.27 47.01 0.27 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 108.346 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' 1001 ' ' GLU . 0.4 OUTLIER -44.95 138.91 3.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.423 -0.798 . . . . 0.0 109.949 -179.522 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -80.77 159.78 25.07 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.457 -0.777 . . . . 0.0 109.86 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.414 ' O ' ' OD1' ' A' 1003 ' ' ASP . 15.7 t70 -113.82 49.03 1.02 Allowed 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.474 -0.766 . . . . 0.0 109.737 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' 1005 ' ' GLU . 34.1 t0 -104.39 -156.76 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.383 -0.823 . . . . 0.0 109.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.479 ' H ' ' CG ' ' A' 1004 ' ' ASP . 36.1 mt-10 -49.07 -36.52 18.6 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.16 -0.963 . . . . 0.0 109.394 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.41 69.09 1.15 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.225 -0.922 . . . . 0.0 109.49 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 178.01 -83.51 0.07 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.288 -1.125 . . . . 0.0 109.236 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.979 0 N-CA-C 119.764 2.666 . . . . 0.0 119.764 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -171.63 92.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -1.146 . . . . 0.0 109.577 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.1 tpt -75.22 -124.75 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.306 -0.871 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -164.29 -149.2 5.7 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 84.5 p -153.67 -155.5 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.172 -1.193 . . . . 0.0 109.452 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -138.53 -2.22 1.8 Allowed 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.442 -0.786 . . . . 0.0 109.625 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.69 -78.58 0.31 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.88 -153.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.582 2.188 . . . . 0.0 111.829 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.685 ' O ' ' N ' ' B' ' 694' ' ' LEU . 10.1 t70 -105.43 -30.25 9.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.722 -0.611 . . . . 0.0 109.489 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 692' ' ' ASP . 19.6 tt 50.3 -37.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.685 ' N ' ' O ' ' B' ' 692' ' ' ASP . 56.6 tp -59.1 -51.75 68.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.392 -1.442 . . . . 0.0 110.424 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.62 -54.03 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.016 -1.052 . . . . 0.0 110.788 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 5.1 m -67.11 -41.4 86.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 110.038 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.451 ' O ' ' SD ' ' B' ' 701' ' ' MET . 32.9 tp -57.23 -43.23 82.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.894 -1.129 . . . . 0.0 108.91 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.39 -45.31 84.65 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.185 -0.947 . . . . 0.0 108.89 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 24.4 p -62.83 -48.15 80.32 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.296 -0.877 . . . . 0.0 109.084 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.26 -51.59 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.441 -0.787 . . . . 0.0 109.658 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.72 -42.12 71.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.176 -0.953 . . . . 0.0 109.317 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.42 43.28 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.63 -51.13 61.41 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.275 -1.132 . . . . 0.0 109.386 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.6 mt -52.69 -52.39 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.887 -1.133 . . . . 0.0 108.283 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -62.03 -45.46 93.47 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.389 0.614 . . . . 0.0 109.635 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.5 mp -66.43 -45.68 79.05 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.187 -0.945 . . . . 0.0 109.539 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.07 -31.38 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.149 -0.97 . . . . 0.0 109.684 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.1 -38.02 14.2 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.475 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -66.24 -32.03 73.21 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.97 -44.89 60.58 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.04 -32.6 69.37 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 9.0 tp -55.14 -53.91 49.99 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -56.97 -50.62 72.11 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.177 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 94.7 mt -56.96 -53.15 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.063 -1.023 . . . . 0.0 110.533 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.728 ' CG ' HG13 ' A' ' 984' ' ' VAL . 15.5 t-105 -62.1 -26.66 68.42 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.947 -1.096 . . . . 0.0 109.336 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -53.86 53.51 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.089 0.947 . . . . 0.0 108.891 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.41 ' N ' HD12 ' B' ' 717' ' ' LEU . 11.0 mp -63.42 -29.4 70.69 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.711 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 4.5 tt -68.97 -32.03 71.3 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.519 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.918 HD11 ' SD ' ' A' ' 987' ' ' MET . 0.5 OUTLIER -71.73 -39.15 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 C-N-CA 117.711 -1.596 . . . . 0.0 107.626 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 48.1 m -70.25 -43.21 71.0 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.458 -0.776 . . . . 0.0 110.49 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 45.2 mt -51.92 -42.65 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -52.38 -30.98 31.63 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.657 -1.277 . . . . 0.0 108.398 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -87.68 -27.83 22.19 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.58 -0.7 . . . . 0.0 110.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -45.96 -32.26 2.64 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.932 -1.105 . . . . 0.0 109.937 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -58.8 4.73 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 120.94 -1.1 . . . . 0.0 109.047 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -63.85 -47.81 79.25 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.02 -38.19 49.82 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.09 -59.59 2.67 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.08 -28.79 4.43 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.341 -0.849 . . . . 0.0 109.172 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.0 t80 -68.62 -60.9 2.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.23 -0.919 . . . . 0.0 109.376 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -66.97 -24.1 66.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.69 -0.631 . . . . 0.0 109.564 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.22 -42.23 96.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.226 -0.921 . . . . 0.0 109.435 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -73.58 -40.02 64.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -59.59 -28.46 67.17 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.157 -0.964 . . . . 0.0 109.556 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.48 -49.73 14.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.487 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -67.03 -48.12 69.34 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.222 -0.923 . . . . 0.0 110.005 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.74 -35.8 4.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.317 -0.864 . . . . 0.0 110.055 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.4 mmmt -65.11 -65.74 0.63 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.283 -0.885 . . . . 0.0 110.187 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -51.61 -20.44 1.99 Allowed 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.423 ' O ' ' OG1' ' B' ' 741' ' ' THR . 19.5 t70 -87.32 21.48 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.386 0.612 . . . . 0.0 109.661 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.496 HG22 ' H ' ' B' ' 742' ' ' ALA . 2.0 m -168.26 -137.39 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.476 -0.765 . . . . 0.0 109.521 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.496 ' H ' HG22 ' B' ' 741' ' ' THR . . . 57.29 -136.04 1.07 Allowed 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.6 41.72 0.09 Allowed 'General case' 0 C--N 1.293 -1.874 0 O-C-N 121.377 -0.827 . . . . 0.0 109.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 742' ' ' ALA . 11.5 t30 -126.19 79.44 69.82 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.155 -0.965 . . . . 0.0 109.842 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -93.26 25.4 0.4 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 123.262 2.641 . . . . 0.0 111.888 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.78 -26.65 62.21 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.593 -0.692 . . . . 0.0 109.522 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.1 -60.33 2.04 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -0.915 . . . . 0.0 108.836 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -43.66 -34.03 1.36 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.287 0.565 . . . . 0.0 109.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.68 -58.26 9.36 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.281 -0.887 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 58.44 61.67 2.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.413 -0.804 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 12.3 p -145.48 58.43 1.26 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.328 -0.857 . . . . 0.0 109.48 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 26.9 m -61.98 177.34 0.46 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.219 -0.926 . . . . 0.0 109.399 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 65.1 m -83.03 -26.9 30.74 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.246 -0.909 . . . . 0.0 109.353 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.464 ' CD2' ' N ' ' B' ' 755' ' ' THR . 29.8 t80 -71.67 -175.72 1.43 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.393 -0.817 . . . . 0.0 109.215 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.464 ' N ' ' CD2' ' B' ' 754' ' ' PHE . 9.9 t 38.4 41.9 0.49 Allowed 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 121.513 0.673 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' B' ' 756' ' ' ASN . 0.9 OUTLIER -102.81 38.54 1.71 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 12.4 mt -117.43 136.44 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.693 -0.629 . . . . 0.0 109.427 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 8.8 m -158.53 162.75 37.45 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.214 -0.929 . . . . 0.0 109.535 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -63.93 124.31 21.22 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.3 -0.875 . . . . 0.0 109.566 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -146.17 -168.89 3.12 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.231 -0.918 . . . . 0.0 109.391 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -174.75 -109.95 0.24 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.428 ' H ' HG22 ' B' ' 762' ' ' THR . 1.1 t . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.196 -1.179 . . . . 0.0 109.568 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.969 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.25 151.31 15.44 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.28 -1.129 . . . . 0.0 109.517 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.443 ' SD ' ' C ' ' A' ' 957' ' ' MET . 1.8 tmt? -161.55 -41.18 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -166.5 159.75 33.16 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 961' ' ' GLU . 90.0 p -163.68 109.24 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -1.176 . . . . 0.0 109.673 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 12.9 mp0 -71.66 8.18 1.23 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.92 . . . . 0.0 109.358 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 959' ' ' SER . 72.5 mt-10 -76.76 -43.34 37.41 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.754 -0.591 . . . . 0.0 109.574 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 961' ' ' GLU . 11.5 tpt180 59.16 119.39 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.97 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -166.71 -59.88 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -0.997 . . . . 0.0 109.683 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 966' ' ' ILE . 5.0 mt 50.74 70.76 1.82 Allowed Pre-proline 0 N--CA 1.486 1.352 0 O-C-N 121.166 -0.959 . . . . 0.0 109.021 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.33 53.95 0.05 OUTLIER 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 123.528 2.819 . . . . 0.0 113.86 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.4 mm -52.9 -26.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 120.569 -1.332 . . . . 0.0 108.946 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.23 -48.9 67.79 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -53.81 -50.55 65.91 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.64 -1.163 . . . . 0.0 108.255 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.43 -44.63 97.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.9 tp -62.0 -48.95 78.04 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.7 0.762 . . . . 0.0 109.875 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.98 -34.72 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -74.32 -45.21 25.38 Favored Glycine 0 C--N 1.29 -2.01 0 N-CA-C 107.741 -2.144 . . . . 0.0 107.741 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.28 -27.68 42.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.617 -0.931 . . . . 0.0 108.542 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.8 tt -72.73 -37.27 67.78 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.81 78.67 Favored Glycine 0 N--CA 1.483 1.773 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.51 75.15 Favored Glycine 0 C--N 1.288 -2.127 0 N-CA-C 106.739 -2.545 . . . . 0.0 106.739 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.72 -35.04 60.36 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.02 -42.62 84.6 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.557 HD11 HD13 ' A' ' 983' ' ' LEU . 20.3 tp -69.66 -43.47 72.5 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.7 -40.35 53.81 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.496 -0.752 . . . . 0.0 109.635 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -73.49 -40.08 64.36 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.851 -0.74 . . . . 0.0 111.849 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.9 mt -73.37 -30.46 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.087 -1.008 . . . . 0.0 109.35 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.557 HD13 HD11 ' A' ' 979' ' ' LEU . 4.5 tp -77.4 -44.07 30.48 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.442 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -56.0 -41.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.91 -41.58 59.42 Favored 'General case' 0 C--N 1.291 -1.951 0 CA-C-O 121.714 0.769 . . . . 0.0 110.092 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.84 -37.47 79.34 Favored 'General case' 0 C--N 1.28 -2.426 0 C-N-CA 118.714 -1.194 . . . . 0.0 109.469 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.51 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -75.16 -32.86 61.41 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 118.458 -1.297 . . . . 0.0 107.73 178.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.602 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -66.67 -37.48 84.86 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 177.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.2 tptt -68.42 -39.01 81.73 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 121.79 0.805 . . . . 0.0 108.863 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.0 t -56.76 -2.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.975 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -144.03 -29.2 0.11 Allowed Glycine 0 N--CA 1.499 2.857 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.5 t80 -80.77 -16.56 53.49 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.553 -0.969 . . . . 0.0 109.75 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.92 -13.09 22.65 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-O 122.377 1.084 . . . . 0.0 108.693 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -84.88 -46.13 11.59 Favored 'General case' 0 C--N 1.284 -2.242 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.249 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.671 ' C ' ' H ' ' A' ' 997' ' ' ARG . 77.2 mtp180 -75.93 -29.43 58.36 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.781 0.8 . . . . 0.0 111.309 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 0.4 OUTLIER -68.28 25.44 0.02 OUTLIER 'General case' 0 C--N 1.279 -2.476 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.671 ' H ' ' C ' ' A' ' 995' ' ' ARG . 5.3 mmt180 -19.68 88.13 0.04 OUTLIER Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.448 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 33.0 Cg_exo -63.82 -14.92 45.92 Favored 'Trans proline' 0 CA--C 1.569 2.25 0 C-N-CA 122.497 2.131 . . . . 0.0 116.086 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.466 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 15.7 Cg_endo -97.26 -153.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.246 0 CA-C-N 122.298 1.857 . . . . 0.0 112.158 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 20.8 tp -72.52 111.04 7.35 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 108.748 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -80.16 -50.71 9.91 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 109.681 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -47.85 130.26 14.77 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.346 -0.846 . . . . 0.0 109.928 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 8.9 t70 46.68 76.53 0.1 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.879 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' 1006 ' ' GLU . 0.5 OUTLIER -103.05 127.92 50.12 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.405 -0.809 . . . . 0.0 109.498 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' 1006 ' ' GLU . 0.9 OUTLIER 59.12 -72.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.538 -0.726 . . . . 0.0 110.416 179.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' 1004 ' ' ASP . 56.9 mt-10 -37.11 111.1 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.403 0.62 . . . . 0.0 110.636 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 172.82 -28.0 0.09 OUTLIER Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.444 -1.033 . . . . 0.0 109.254 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.951 0 N-CA-C 119.689 2.636 . . . . 0.0 119.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.96 103.98 0.31 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.227 -1.161 . . . . 0.0 109.493 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.3 tpt -66.67 -78.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.204 -0.935 . . . . 0.0 109.402 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -84.29 155.5 31.24 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 27.1 t -68.42 -169.65 0.16 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.222 -1.164 . . . . 0.0 109.445 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.5 ' N ' ' CD ' ' B' ' 689' ' ' LYS . 3.5 mptp? -82.2 -74.81 0.33 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.256 -0.903 . . . . 0.0 109.411 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -94.99 -56.41 1.31 Allowed Glycine 0 N--CA 1.496 2.687 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.451 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.3 Cg_exo -53.69 -133.57 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.885 2.39 . . . . 0.0 112.515 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' B' ' 694' ' ' LEU . 46.6 t0 -159.59 -30.32 0.06 Allowed 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.433 -0.792 . . . . 0.0 109.5 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 61.97 -8.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.565 -0.71 . . . . 0.0 109.729 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.95 -50.73 15.75 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.852 -1.155 . . . . 0.0 109.722 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 51.7 t -53.52 -53.32 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.058 -1.026 . . . . 0.0 109.953 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.494 HG23 ' N ' ' B' ' 697' ' ' LEU . 34.3 m -60.01 -40.98 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.076 -1.015 . . . . 0.0 109.389 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.494 ' N ' HG23 ' B' ' 696' ' ' VAL . 11.8 tp -51.47 -53.14 40.33 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.029 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.478 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -51.17 -53.37 35.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.353 -0.842 . . . . 0.0 109.234 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 87.0 p -65.26 -52.05 56.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.251 -0.906 . . . . 0.0 109.608 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 63.9 t -54.7 -45.42 73.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 109.852 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -59.66 -42.41 92.76 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.013 -1.054 . . . . 0.0 109.264 -179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.22 -43.34 74.64 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.9 -1.68 . . . . 0.0 108.9 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.39 70.22 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.327 -1.102 . . . . 0.0 109.307 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 35.3 mt -53.12 -47.14 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 120.935 -1.103 . . . . 0.0 108.421 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.494 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -68.24 -41.75 80.74 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.726 -0.609 . . . . 0.0 109.631 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.79 -38.04 73.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.188 -0.945 . . . . 0.0 109.49 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.79 65.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.206 -0.934 . . . . 0.0 110.008 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -79.72 -38.81 19.2 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.59 -29.88 63.9 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.46 -44.9 63.91 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.622 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -74.47 -31.8 62.35 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.499 -0.75 . . . . 0.0 109.004 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.69 -49.37 73.16 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -58.39 -54.45 46.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.758 -0.588 . . . . 0.0 109.992 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 36.3 mm -57.42 -47.99 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.901 -1.124 . . . . 0.0 109.942 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.442 ' CD1' HG13 ' A' ' 984' ' ' VAL . 30.1 t-105 -63.93 -24.13 67.61 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.198 -0.938 . . . . 0.0 110.029 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -69.35 -47.24 64.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.072 -1.018 . . . . 0.0 109.222 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 717' ' ' LEU . 10.8 mp -60.41 -41.22 93.46 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.089 -1.007 . . . . 0.0 108.477 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.434 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -58.16 -38.69 77.13 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.316 -0.865 . . . . 0.0 108.928 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.602 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -76.84 -38.48 29.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -60.49 -26.38 66.77 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.051 -1.031 . . . . 0.0 108.907 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 67.8 mt -73.92 -37.84 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 121.298 -0.876 . . . . 0.0 109.321 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.27 -27.74 37.09 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.37 -30.18 20.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.63 -0.669 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -47.11 -32.67 4.37 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.834 -1.166 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -58.44 5.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.154 -0.966 . . . . 0.0 109.098 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.38 -47.63 83.32 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.082 -1.012 . . . . 0.0 108.563 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -54.95 -36.96 65.86 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -73.83 -58.1 3.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -26.6 3.69 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.324 -0.86 . . . . 0.0 109.098 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.58 -60.9 2.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.311 -0.868 . . . . 0.0 109.284 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -67.24 -23.7 65.74 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.644 -0.66 . . . . 0.0 109.226 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.78 -51.05 66.56 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.291 -0.881 . . . . 0.0 109.171 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.15 -42.67 98.97 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 109.311 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -57.35 -32.59 66.9 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.278 -0.889 . . . . 0.0 109.335 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -75.78 -39.22 57.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.274 -0.891 . . . . 0.0 109.584 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -54.75 -61.94 1.98 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.117 -0.989 . . . . 0.0 109.428 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.97 -42.7 49.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.243 -0.91 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -63.02 -63.72 1.12 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.34 -0.85 . . . . 0.0 109.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -52.31 -21.32 3.39 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 50.5 t0 -88.57 6.12 39.58 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.585 0.707 . . . . 0.0 109.344 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.401 ' N ' ' O ' ' B' ' 738' ' ' LYS . 46.6 p -156.19 -139.5 0.08 Allowed 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.99 -134.35 1.55 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.095 -1.003 . . . . 0.0 108.604 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.65 31.76 0.04 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.339 -0.851 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' B' ' 742' ' ' ALA . 24.1 t30 -139.72 65.7 32.53 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -93.25 23.1 0.53 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 123.028 2.485 . . . . 0.0 112.2 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.448 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.3 pp -46.88 -40.37 13.91 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.469 -0.77 . . . . 0.0 109.93 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.448 ' N ' HD12 ' B' ' 746' ' ' LEU . 1.4 t80 -65.98 -67.23 0.46 Allowed 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.348 -0.845 . . . . 0.0 109.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -45.02 -40.66 6.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.808 -0.558 . . . . 0.0 110.034 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' B' ' 750' ' ' ALA . 2.2 tt0 -54.21 -36.03 63.04 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.205 -0.935 . . . . 0.0 109.518 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' B' ' 749' ' ' GLU . . . 73.97 77.45 0.12 Allowed 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 9.4 t -71.05 22.76 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.306 -0.871 . . . . 0.0 109.874 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.537 ' H ' ' C ' ' B' ' 750' ' ' ALA . 57.1 m -97.14 41.5 1.11 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.383 -0.823 . . . . 0.0 109.019 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.495 ' C ' ' H ' ' B' ' 755' ' ' THR . 91.7 m -96.17 -25.96 15.64 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.349 -0.844 . . . . 0.0 109.633 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -67.59 4.22 1.13 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.329 -0.857 . . . . 0.0 109.385 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 753' ' ' THR . 13.5 t -133.55 34.57 3.45 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.513 ' O ' ' ND2' ' B' ' 756' ' ' ASN . 0.3 OUTLIER -128.9 31.29 4.95 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.501 -0.75 . . . . 0.0 109.002 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 53.2 mt -70.82 94.88 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.472 -0.767 . . . . 0.0 109.545 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 43.2 p -51.39 144.88 9.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.31 -0.869 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.413 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 88.1 t80 -82.49 72.63 9.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.31 -0.869 . . . . 0.0 109.498 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -49.67 112.93 0.73 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.187 -0.945 . . . . 0.0 109.428 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -71.61 90.13 0.46 Allowed Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.238 -1.154 . . . . 0.0 109.501 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -59.47 177.88 0.17 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.232 -1.158 . . . . 0.0 109.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -165.73 167.03 17.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -0.922 . . . . 0.0 109.446 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.418 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -67.11 154.59 52.84 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 9.9 m -166.32 168.94 14.62 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.339 -1.094 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -76.37 7.84 3.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -84.38 -46.41 11.75 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.744 -0.597 . . . . 0.0 109.442 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -66.98 -139.78 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.525 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -169.33 -31.0 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.23 -0.919 . . . . 0.0 109.711 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.0 mt 50.15 70.05 2.27 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 121.143 -0.973 . . . . 0.0 109.646 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.81 110.4 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 123.205 2.603 . . . . 0.0 112.506 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 970' ' ' LEU . 1.9 mt -63.62 -24.55 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.393 -0.817 . . . . 0.0 109.605 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -47.97 63.13 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.75 -54.08 46.69 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 59.5 t -60.47 -43.02 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 966' ' ' ILE . 2.0 tt -56.48 -51.45 68.43 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.973 0.892 . . . . 0.0 109.052 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.7 t -57.89 -34.8 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.36 -45.02 15.45 Favored Glycine 0 C--N 1.289 -2.035 0 N-CA-C 107.925 -2.07 . . . . 0.0 107.925 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.55 -30.09 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.627 -0.925 . . . . 0.0 108.603 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.631 ' O ' HD23 ' A' ' 974' ' ' LEU . 2.0 tt -70.79 -36.28 72.94 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.97 -19.53 78.38 Favored Glycine 0 N--CA 1.482 1.721 0 N-CA-C 108.85 -1.7 . . . . 0.0 108.85 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.06 -24.73 75.8 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 106.495 -2.642 . . . . 0.0 106.495 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.98 -44.52 63.39 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 2.2 tt -58.64 -42.09 87.53 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.435 HD11 HD13 ' A' ' 983' ' ' LEU . 20.9 tp -70.53 -44.19 68.04 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 119.088 -1.045 . . . . 0.0 108.256 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.8 tt -50.93 -40.98 58.56 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.53 -0.731 . . . . 0.0 109.469 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.3 p -74.04 -39.81 63.27 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.599 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 76.0 mt -72.08 -30.94 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.086 -1.009 . . . . 0.0 109.136 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -73.83 -48.55 30.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.459 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.22 -41.54 61.3 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.942 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -76.31 -42.81 43.97 Favored 'General case' 0 C--N 1.292 -1.902 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.128 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.41 -36.25 75.5 Favored 'General case' 0 C--N 1.279 -2.477 0 C-N-CA 118.657 -1.217 . . . . 0.0 109.942 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.55 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.33 -36.14 63.65 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 117.843 -1.543 . . . . 0.0 107.722 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.569 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -62.32 -38.4 89.32 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 mptt -74.68 -33.77 62.53 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.46 0.648 . . . . 0.0 110.041 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.3 t -56.07 -3.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.002 0 O-C-N 121.451 -0.781 . . . . 0.0 109.439 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.84 -29.91 0.08 OUTLIER Glycine 0 N--CA 1.498 2.824 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -78.84 -15.46 58.34 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.559 -0.966 . . . . 0.0 109.848 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -9.96 24.16 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-O 122.231 1.015 . . . . 0.0 108.898 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -82.21 -42.47 18.92 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-O 121.678 0.751 . . . . 0.0 109.091 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.0 mtt180 -92.08 -17.61 24.75 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.734 0.778 . . . . 0.0 111.548 -177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 997' ' ' ARG . 37.3 t30 -68.97 33.65 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.621 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.2 mmt85 -18.76 87.94 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 24.8 Cg_exo -64.26 -12.14 31.36 Favored 'Trans proline' 0 CA--C 1.566 2.124 0 C-N-CA 122.932 2.421 . . . . 0.0 116.608 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' 1001 ' ' GLU . 58.6 Cg_endo -90.83 -176.84 1.04 Allowed 'Trans proline' 0 N--CA 1.485 0.977 0 CA-C-N 122.657 1.985 . . . . 0.0 111.954 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.32 59.23 0.05 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.162 -0.961 . . . . 0.0 109.674 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 999' ' ' PRO . 17.8 tp10 -141.72 55.24 1.5 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.17 -0.956 . . . . 0.0 109.415 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -76.72 47.43 0.5 Allowed 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.18 -0.95 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.9 134.74 28.67 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.302 -0.874 . . . . 0.0 109.37 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.36 179.25 0.33 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -0.921 . . . . 0.0 109.167 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.63 176.92 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.059 -1.026 . . . . 0.0 109.503 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -117.1 -107.7 0.37 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.511 -0.743 . . . . 0.0 109.614 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 166.74 -117.81 0.76 Allowed Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.923 0 N-CA-C 119.832 2.693 . . . . 0.0 119.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -169.02 -94.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.224 -1.162 . . . . 0.0 109.366 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 36.1 mtt -77.25 -144.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.266 -0.896 . . . . 0.0 109.54 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 165.99 -146.6 11.19 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.415 ' C ' ' H ' ' B' ' 690' ' ' GLY . 18.5 p -50.91 110.14 0.39 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -1.143 . . . . 0.0 109.432 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -63.38 -1.43 1.14 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.284 -0.885 . . . . 0.0 109.532 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -169.19 -56.1 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.464 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.2 Cg_exo -52.19 -129.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 123.083 2.522 . . . . 0.0 112.509 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 694' ' ' LEU . 62.7 t0 -157.0 -26.48 0.09 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.11 -0.994 . . . . 0.0 109.935 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 61.14 -5.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.651 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -74.24 -48.66 27.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.791 -1.193 . . . . 0.0 109.417 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.84 -53.82 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.088 -1.008 . . . . 0.0 109.993 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.566 HG23 ' N ' ' B' ' 697' ' ' LEU . 19.0 m -63.83 -45.7 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 120.98 -1.075 . . . . 0.0 109.443 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.566 ' N ' HG23 ' B' ' 696' ' ' VAL . 12.1 tp -58.06 -38.73 76.88 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.162 -0.961 . . . . 0.0 108.866 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.649 ' C ' HD13 ' B' ' 698' ' ' LEU . 3.1 tm? -54.03 -48.56 70.37 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 22.7 t -60.78 -47.07 88.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.441 -0.787 . . . . 0.0 109.316 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 82.4 t -54.07 -50.1 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.395 -0.816 . . . . 0.0 109.728 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -54.94 -41.66 71.34 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.174 -0.954 . . . . 0.0 109.312 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.86 -49.57 53.95 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.19 -1.564 . . . . 0.0 109.19 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.75 -49.54 65.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.238 -1.154 . . . . 0.0 109.367 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.9 mt -53.01 -53.96 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 120.878 -1.139 . . . . 0.0 108.257 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -45.19 95.53 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 121.31 0.576 . . . . 0.0 109.76 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.58 -45.32 75.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.215 -0.928 . . . . 0.0 109.763 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.0 mt -55.89 -31.61 30.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.163 -0.961 . . . . 0.0 109.567 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.01 -40.2 10.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.986 -1.646 . . . . 0.0 108.986 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.5 tp -62.65 -33.08 74.3 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.57 -44.31 62.26 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.6 -32.81 68.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.7 tp -53.78 -54.25 40.87 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.8 -49.13 77.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.363 -0.836 . . . . 0.0 110.401 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.7 mt -57.68 -48.06 84.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 120.932 -1.105 . . . . 0.0 110.282 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.459 ' NE1' HG13 ' A' ' 984' ' ' VAL . 12.3 t-105 -66.77 -23.09 66.03 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.159 -0.963 . . . . 0.0 110.059 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.9 tmtp? -67.11 -49.67 64.17 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.911 -1.118 . . . . 0.0 108.818 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.21 -36.95 78.84 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.78 -36.74 83.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.341 -0.849 . . . . 0.0 109.769 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.569 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -76.43 -32.63 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.056 -1.027 . . . . 0.0 108.948 -179.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 m -76.27 -25.24 54.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.058 -1.026 . . . . 0.0 109.261 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 36.4 mt -76.22 -33.63 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 110.078 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -53.1 -33.69 53.34 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.683 -1.261 . . . . 0.0 108.312 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' B' ' 723' ' ' ASP . 0.8 OUTLIER -87.66 -31.84 19.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.391 -0.818 . . . . 0.0 110.709 -179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.06 -32.38 4.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.85 -1.156 . . . . 0.0 109.717 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.96 2.78 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.048 -1.033 . . . . 0.0 109.364 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.5 tt0 -64.65 -47.26 79.12 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -50.19 -39.11 43.06 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.18 -60.38 2.32 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.9 -33.43 10.73 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.387 -0.821 . . . . 0.0 109.291 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' B' ' 726' ' ' GLU . 34.3 t80 -71.31 -60.38 2.26 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.949 . . . . 0.0 109.177 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -61.03 -28.4 69.03 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.711 -0.618 . . . . 0.0 109.385 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.58 -45.27 93.66 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 0.0 109.212 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -68.31 -45.09 73.93 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.344 -0.847 . . . . 0.0 109.276 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -68.63 -33.57 74.25 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.243 -0.911 . . . . 0.0 109.443 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.04 71.45 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -78.71 -16.74 56.88 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.13 -0.981 . . . . 0.0 109.661 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -59.42 -18.66 41.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.972 . . . . 0.0 109.41 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' B' ' 740' ' ' ASP . 11.6 mmtt -63.25 -66.6 0.52 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.309 -0.87 . . . . 0.0 109.893 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -51.64 -20.55 2.09 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' B' ' 740' ' ' ASP . 9.6 t0 -96.33 23.74 6.41 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.444 0.64 . . . . 0.0 109.571 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.443 ' O ' ' O ' ' B' ' 742' ' ' ALA . 5.8 p -148.93 -163.0 1.68 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.442 -0.786 . . . . 0.0 109.121 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 52.65 101.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.356 -0.84 . . . . 0.0 109.164 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 53.63 31.22 12.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.172 -0.955 . . . . 0.0 109.447 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.456 HD21 HD12 ' B' ' 746' ' ' LEU . 0.4 OUTLIER -42.83 106.53 0.48 Allowed Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.602 -0.686 . . . . 0.0 110.07 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -85.38 17.6 1.73 Allowed 'Trans proline' 0 N--CA 1.487 1.135 0 C-N-CA 122.108 1.872 . . . . 0.0 112.109 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.456 HD12 HD21 ' B' ' 744' ' ' ASN . 6.8 mt -65.43 -39.94 92.72 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -65.56 -64.67 0.81 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.346 -0.846 . . . . 0.0 108.902 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -42.04 -32.46 0.45 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-O 121.287 0.565 . . . . 0.0 110.071 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.406 ' C ' ' N ' ' B' ' 751' ' ' THR . 1.6 tt0 -72.41 -50.53 25.71 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.216 -0.928 . . . . 0.0 108.933 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 48.46 18.71 0.18 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.68 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.406 ' N ' ' C ' ' B' ' 749' ' ' GLU . 5.0 p 49.62 41.03 20.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.194 -0.941 . . . . 0.0 109.429 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 33.3 p -157.8 50.0 0.42 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.467 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.3 m -84.14 -78.58 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 109.249 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 64.4 t80 -93.73 6.46 48.26 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.768 0.794 . . . . 0.0 109.28 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.3 m -90.23 12.77 17.06 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' B' ' 758' ' ' THR . 9.4 t-20 -123.6 39.1 4.04 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.507 -0.746 . . . . 0.0 109.41 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.777 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -49.45 90.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.547 HG22 ' H ' ' B' ' 759' ' ' TYR . 0.7 OUTLIER -86.43 -154.4 0.22 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.213 -0.929 . . . . 0.0 109.072 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.547 ' H ' HG22 ' B' ' 758' ' ' THR . 68.2 t80 -104.25 47.41 0.88 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.348 -0.845 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -75.43 101.98 5.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 175.1 143.68 4.62 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.255 -1.144 . . . . 0.0 109.467 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.691 2.637 . . . . 0.0 119.691 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 958' ' ' GLY . . . 50.64 41.8 26.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.258 -1.143 . . . . 0.0 109.503 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 27.4 ttp 54.88 4.27 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.329 -0.857 . . . . 0.0 109.735 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 956' ' ' ALA . . . 79.6 -78.45 1.76 Allowed Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 23.6 m -68.95 135.56 51.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.523 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 7.9 mp0 -79.62 8.73 5.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.272 -0.892 . . . . 0.0 109.24 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 962' ' ' ARG . 38.5 mt-10 -55.86 -57.03 13.76 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.465 ' O ' ' O ' ' A' ' 961' ' ' GLU . 33.4 ttt85 58.83 141.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.557 0.694 . . . . 0.0 110.349 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -157.91 16.43 0.24 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.148 -0.97 . . . . 0.0 109.324 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.461 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 14.2 mt 43.53 62.84 8.64 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.497 -0.752 . . . . 0.0 110.734 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.478 ' C ' ' N ' ' A' ' 967' ' ' TRP . 51.3 Cg_exo -56.81 5.62 0.06 OUTLIER 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.078 2.518 . . . . 0.0 112.808 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.455 ' H ' ' C ' ' A' ' 964' ' ' ILE . 5.1 mm -45.81 -21.85 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.079 -1.013 . . . . 0.0 108.524 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.478 ' N ' ' C ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -62.13 -52.03 65.51 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.1 OUTLIER -57.71 -42.35 83.57 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 114.078 -1.419 . . . . 0.0 107.391 178.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 9.6 t -66.45 -44.76 90.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.4 tt -55.07 -50.73 68.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 122.11 0.957 . . . . 0.0 108.76 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.56 -41.34 81.68 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.02 -46.16 46.05 Favored Glycine 0 C--N 1.29 -2.011 0 N-CA-C 108.077 -2.009 . . . . 0.0 108.077 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.42 -27.25 39.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.7 tt -71.79 -47.56 52.61 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.68 -20.99 78.91 Favored Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.562 -1.815 . . . . 0.0 108.562 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -65.99 -24.13 71.49 Favored Glycine 0 C--N 1.292 -1.907 0 N-CA-C 106.688 -2.565 . . . . 0.0 106.688 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.73 -46.46 37.29 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 177.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 1.3 tt -56.92 -41.83 78.9 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 979' ' ' LEU . 2.3 tm? -69.36 -47.1 65.34 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.08 -39.97 57.29 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.394 -0.816 . . . . 0.0 109.324 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 13.0 p -73.45 -39.4 64.99 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.911 -0.716 . . . . 0.0 111.595 -177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 81.6 mt -73.16 -31.07 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.958 -1.089 . . . . 0.0 109.103 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.7 tp -75.15 -45.04 43.39 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.4 t -55.91 -40.4 62.24 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.34 -41.53 56.47 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.626 0.727 . . . . 0.0 109.857 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.81 -36.94 77.79 Favored 'General case' 0 C--N 1.283 -2.316 0 C-N-CA 118.847 -1.141 . . . . 0.0 109.527 -178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.38 -34.46 63.34 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.624 179.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -37.08 85.17 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 177.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.6 mptt -72.97 -35.64 66.95 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.672 0.749 . . . . 0.0 109.253 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 990' ' ' VAL . 3.6 t -56.05 -2.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 O-C-N 121.3 -0.875 . . . . 0.0 109.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -145.01 -29.84 0.09 OUTLIER Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -80.36 -19.38 46.55 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.44 -1.035 . . . . 0.0 109.729 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.67 -16.27 30.79 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -76.64 -43.95 36.01 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.97 101.38 12.95 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-O 121.852 0.834 . . . . 0.0 109.071 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 997' ' ' ARG . 33.5 t-20 -144.85 23.56 1.55 Allowed 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 996' ' ' ASN . 3.0 mmt85 -19.17 89.16 0.04 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.481 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 78.2 Cg_endo -75.68 -3.48 13.94 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 116.379 1.646 . . . . 0.0 116.379 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 0.9 OUTLIER -95.39 -130.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.124 0 CA-C-N 122.405 1.895 . . . . 0.0 110.558 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.5 37.76 4.31 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 52.37 28.75 6.06 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.525 -0.734 . . . . 0.0 109.613 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -95.1 114.63 26.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.195 -0.941 . . . . 0.0 109.312 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.48 144.64 54.58 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.082 -1.011 . . . . 0.0 109.218 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' 1005 ' ' GLU . 20.1 t70 -77.7 -154.9 0.07 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.055 -1.028 . . . . 0.0 109.446 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' 1006 ' ' GLU . 71.7 mt-10 -72.12 -30.17 64.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.314 -0.866 . . . . 0.0 109.781 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 1005 ' ' GLU . 95.1 mt-10 13.3 -111.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 158.6 -133.75 3.55 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 1.8 pp20? . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.338 -1.095 . . . . 0.0 109.487 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.964 0 N-CA-C 119.796 2.679 . . . . 0.0 119.796 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . 0.44 ' C ' ' SD ' ' B' ' 686' ' ' MET . . . -62.14 -163.13 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.245 -1.15 . . . . 0.0 109.503 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' B' ' 685' ' ' ALA . 2.5 mpt? -141.36 71.8 1.37 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.277 -0.889 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 73.86 -171.71 51.88 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 80.9 p -156.49 -167.62 2.46 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.319 -1.106 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 12.1 tptp -143.09 7.78 1.61 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.296 -0.878 . . . . 0.0 109.44 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -90.74 -74.31 1.28 Allowed Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -77.72 -100.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.794 2.329 . . . . 0.0 111.889 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' B' ' 694' ' ' LEU . 5.9 t70 -156.48 -43.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.619 -0.676 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 63.94 -39.69 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.842 -0.536 . . . . 0.0 110.001 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -57.65 -52.75 64.17 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 110.325 -179.184 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.65 -54.52 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.775 0 O-C-N 120.951 -1.093 . . . . 0.0 110.377 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 10.4 m -66.05 -40.07 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 120.863 -1.148 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.43 -50.46 62.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.151 -0.968 . . . . 0.0 108.618 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.449 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -51.55 -53.0 42.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.451 -0.781 . . . . 0.0 108.955 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 26.5 t -59.22 -50.08 75.4 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.217 -0.927 . . . . 0.0 109.138 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.32 -49.24 77.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 121.521 -0.737 . . . . 0.0 109.653 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.23 -33.88 74.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.098 -1.002 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.12 -41.08 94.47 Favored Glycine 0 N--CA 1.487 2.08 0 N-CA-C 108.384 -1.886 . . . . 0.0 108.384 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.37 88.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.41 -1.053 . . . . 0.0 108.908 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.93 -56.03 7.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.517 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.5 tt -58.76 -45.65 89.25 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.391 0.615 . . . . 0.0 110.05 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -67.66 -42.94 81.4 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.253 -0.905 . . . . 0.0 110.147 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -54.98 -37.18 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.956 -1.09 . . . . 0.0 110.159 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.7 12.22 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.537 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -58.51 -34.6 71.14 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.96 60.27 Favored 'General case' 0 C--N 1.302 -1.467 0 C-N-CA 119.603 -0.839 . . . . 0.0 108.8 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -71.39 -32.41 68.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.409 -0.807 . . . . 0.0 109.126 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -53.44 51.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.56 -53.46 57.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.867 -0.521 . . . . 0.0 110.373 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 37.6 mm -57.96 -46.49 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.742 -1.224 . . . . 0.0 109.935 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' HG13 ' A' ' 984' ' ' VAL . 23.2 t-105 -66.3 -23.69 66.42 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.184 -0.948 . . . . 0.0 110.195 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -69.88 -48.74 57.55 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.914 -1.116 . . . . 0.0 109.204 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 717' ' ' LEU . 9.7 mp -61.39 -34.6 75.62 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.179 -0.95 . . . . 0.0 108.656 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -66.06 -36.03 82.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.297 -0.877 . . . . 0.0 109.367 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -76.26 -32.61 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 108.549 -179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 39.2 m -67.02 -48.29 68.83 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.182 -0.949 . . . . 0.0 108.918 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.6 mt -55.86 -46.13 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 O-C-N 121.385 -0.822 . . . . 0.0 109.939 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.04 -30.93 49.77 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.837 -1.164 . . . . 0.0 108.144 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' B' ' 727' ' ' PHE . 7.7 m-20 -87.44 -32.24 19.61 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.603 -0.686 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -44.8 -32.35 1.52 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.102 -0.999 . . . . 0.0 109.709 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -59.78 2.56 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.091 -1.005 . . . . 0.0 108.898 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 730' ' ' PHE . 32.7 tt0 -63.69 -48.59 76.5 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' B' ' 723' ' ' ASP . 40.9 t80 -49.56 -39.11 33.64 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.71 -61.56 1.84 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -25.16 2.17 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.293 -0.879 . . . . 0.0 109.52 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' B' ' 726' ' ' GLU . 32.7 t80 -72.27 -60.11 2.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.096 -1.002 . . . . 0.0 109.649 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.22 -23.73 67.56 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.069 -1.02 . . . . 0.0 109.167 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -64.32 -49.64 70.95 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.273 -0.892 . . . . 0.0 109.225 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.02 -44.34 97.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.409 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -63.96 -40.75 97.13 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.313 -0.867 . . . . 0.0 109.429 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.47 80.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' B' ' 740' ' ' ASP . 53.3 mtp180 -62.06 -46.19 90.22 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 109.513 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.63 -45.01 18.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.214 -0.929 . . . . 0.0 109.53 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.37 -66.38 0.56 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.489 -0.757 . . . . 0.0 110.073 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -51.42 -20.71 1.91 Allowed 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' B' ' 738' ' ' LYS . 33.2 t0 -89.02 24.13 2.19 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.409 ' N ' ' O ' ' B' ' 738' ' ' LYS . 90.0 m -166.77 -19.43 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.985 0.898 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . -65.74 104.56 1.08 Allowed 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 13.5 t30 44.57 31.76 0.66 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.41 -0.806 . . . . 0.0 109.961 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.469 ' ND2' HD21 ' B' ' 746' ' ' LEU . 10.2 t-20 -53.28 111.7 2.95 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.352 -0.843 . . . . 0.0 108.756 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.89 14.07 2.52 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.201 1.934 . . . . 0.0 113.359 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.928 HD12 ' N ' ' B' ' 747' ' ' TYR . 3.5 pp -83.54 -33.25 25.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.071 -1.018 . . . . 0.0 109.347 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.928 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.4 OUTLIER -65.19 -50.88 64.2 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' B' ' 747' ' ' TYR . 53.9 tttm -41.69 -42.64 2.6 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.5 0.667 . . . . 0.0 109.474 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.634 ' O ' ' HB3' ' B' ' 750' ' ' ALA . 3.6 mt-10 -89.79 -55.47 3.62 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' B' ' 749' ' ' GLU . . . 76.25 -33.69 0.22 Allowed 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.471 ' H ' ' C ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER 175.07 30.01 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 751' ' ' THR . 4.3 p 62.59 130.88 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.067 -1.021 . . . . 0.0 109.23 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.476 ' C ' ' H ' ' B' ' 755' ' ' THR . 40.6 m -147.87 -32.41 0.27 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.052 -1.03 . . . . 0.0 109.906 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -68.79 5.45 1.1 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.128 -0.983 . . . . 0.0 109.4 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.476 ' H ' ' C ' ' B' ' 753' ' ' THR . 5.2 t -97.93 22.31 9.45 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.3 54.79 1.88 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.477 -0.764 . . . . 0.0 109.292 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 16.4 mm -46.21 144.23 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.324 -0.86 . . . . 0.0 109.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.453 HG22 ' H ' ' B' ' 758' ' ' THR . 0.0 OUTLIER -80.1 170.88 15.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.242 -0.911 . . . . 0.0 109.686 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 87.3 t80 -88.98 66.31 7.82 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.376 -0.828 . . . . 0.0 109.483 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -152.1 168.13 26.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.262 -0.899 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 80.18 17.54 73.95 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.257 -1.143 . . . . 0.0 109.444 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 956' ' ' ALA . . . . . . . . 1 N--CA 1.531 4.99 0 N-CA-C 119.778 2.671 . . . . 0.0 119.778 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 955' ' ' GLY . . . 50.23 94.34 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.268 -1.136 . . . . 0.0 109.572 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 957' ' ' MET . 2.0 tmt? -166.72 -17.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.264 -0.898 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -153.81 -68.65 0.01 OUTLIER Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 31.4 m 49.54 -172.38 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.212 -1.169 . . . . 0.0 109.356 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -145.45 6.85 1.12 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.835 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 963' ' ' ALA . 2.9 mp0 -89.99 30.72 1.04 Allowed 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.573 -0.704 . . . . 0.0 109.501 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -60.25 78.1 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.317 -0.864 . . . . 0.0 109.73 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.71 -18.61 32.63 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.155 -0.965 . . . . 0.0 109.201 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.4 mt 46.59 66.93 4.91 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.309 -0.87 . . . . 0.0 109.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.38 110.01 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.914 2.41 . . . . 0.0 112.044 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 1.8 mt -58.13 -25.79 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.346 -0.846 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -50.1 64.57 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 122.88 1.324 . . . . 0.0 107.509 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.508 ' HE1' ' CD2' ' B' ' 697' ' ' LEU . 0.2 OUTLIER -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.283 -2.319 0 CA-C-N 114.31 -1.314 . . . . 0.0 107.98 179.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 973' ' ' VAL . 4.1 t -65.74 -44.52 93.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -53.71 -49.28 68.41 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 178.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 49.5 t -58.69 -46.45 90.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.62 -46.65 83.16 Favored Glycine 0 C--N 1.291 -1.948 0 N-CA-C 108.252 -1.939 . . . . 0.0 108.252 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 969' ' ' VAL . 72.2 t -62.38 -28.5 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.555 -0.968 . . . . 0.0 108.683 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.545 ' O ' HD23 ' A' ' 974' ' ' LEU . 5.2 tt -65.72 -47.36 75.62 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.83 -17.9 78.6 Favored Glycine 0 N--CA 1.481 1.699 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.81 -24.38 77.06 Favored Glycine 0 C--N 1.289 -2.042 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.2 OUTLIER -73.81 -40.25 63.49 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 104.884 -2.265 . . . . 0.0 104.884 177.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.26 -40.73 98.23 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.432 HD11 HD13 ' A' ' 983' ' ' LEU . 20.0 tp -72.89 -46.13 54.45 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 120.984 -1.073 . . . . 0.0 108.337 178.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -50.9 -40.01 55.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.487 -0.758 . . . . 0.0 109.429 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.34 -40.34 64.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.595 -0.691 . . . . 0.0 111.867 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 72.3 mt -72.79 -30.77 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.085 -1.009 . . . . 0.0 109.062 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 979' ' ' LEU . 4.8 tp -76.4 -46.36 27.58 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.1 t -54.91 -41.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 7.8 tp -75.56 -42.65 51.69 Favored 'General case' 0 C--N 1.291 -1.945 0 CA-C-O 121.836 0.827 . . . . 0.0 110.326 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.64 77.84 Favored 'General case' 0 C--N 1.279 -2.486 0 C-N-CA 118.603 -1.239 . . . . 0.0 109.466 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.523 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.99 -35.0 62.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 178.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.09 -37.83 88.85 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 177.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -66.12 -42.99 88.42 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 121.868 0.842 . . . . 0.0 108.769 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.498 ' O ' HG12 ' A' ' 990' ' ' VAL . 9.8 t -56.7 -2.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.165 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -140.28 -28.75 0.2 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.557 ' N ' ' O ' ' A' ' 988' ' ' TRP . 74.1 t80 -81.85 -18.82 42.54 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.531 -0.982 . . . . 0.0 109.56 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -14.58 30.17 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -83.35 -49.29 9.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.274 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 997' ' ' ARG . 44.7 mtp85 -72.45 -120.95 0.0 OUTLIER 'General case' 0 C--N 1.297 -1.676 0 CA-C-O 121.492 0.663 . . . . 0.0 110.118 -179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 997' ' ' ARG . 7.2 t-20 45.15 18.23 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.674 0.75 . . . . 0.0 109.501 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 995' ' ' ARG . 6.9 mmt180 -23.8 87.33 0.04 OUTLIER Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.627 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.468 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 2.1 Cg_endo -83.56 7.98 4.88 Favored 'Trans proline' 0 CA--C 1.569 2.234 0 C-N-CA 122.123 1.882 . . . . 0.0 115.623 176.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.1 Cg_endo -92.04 -154.47 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.205 0 CA-C-N 122.727 2.01 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.62 55.88 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.985 -1.072 . . . . 0.0 109.358 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.69 0.79 3.8 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 121.089 -1.007 . . . . 0.0 109.355 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' 1003 ' ' ASP . 78.8 mt-10 -56.5 111.41 0.98 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.206 -0.934 . . . . 0.0 109.215 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' 1004 ' ' ASP . 42.8 t0 48.86 -172.56 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.202 -0.937 . . . . 0.0 109.444 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.43 ' H ' ' CG ' ' A' 1003 ' ' ASP . 0.7 OUTLIER 38.86 80.56 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.701 -0.625 . . . . 0.0 110.823 179.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -80.99 -91.69 0.06 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.426 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -80.16 -167.93 1.48 Allowed 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.345 -0.847 . . . . 0.0 109.719 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -168.1 97.96 0.14 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.309 -1.112 . . . . 0.0 109.413 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 55.82 46.52 22.12 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.345 -1.091 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 17.3 mtt 54.88 72.73 0.45 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.216 -0.928 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -86.96 154.56 26.75 Favored Glycine 0 N--CA 1.494 2.509 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.9 m -81.58 -163.75 0.68 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.276 -1.132 . . . . 0.0 109.389 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -139.87 55.74 1.64 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.352 -0.842 . . . . 0.0 109.604 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -157.6 -81.86 0.04 OUTLIER Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.26 -101.94 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.506 2.137 . . . . 0.0 111.907 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' B' ' 694' ' ' LEU . 24.1 t0 -165.76 -30.1 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.589 -0.694 . . . . 0.0 109.608 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 64.63 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.733 -0.604 . . . . 0.0 109.981 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.78 -51.92 58.8 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.113 -0.992 . . . . 0.0 110.961 -178.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.88 -54.19 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 120.81 -1.181 . . . . 0.0 110.402 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 700' ' ' VAL . 15.7 m -66.05 -39.72 85.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 120.911 -1.118 . . . . 0.0 109.857 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.53 ' CD1' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.2 -51.25 59.33 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.722 -1.237 . . . . 0.0 108.359 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.498 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -51.88 -50.77 60.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.334 -0.854 . . . . 0.0 108.771 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 28.3 t -62.33 -45.59 92.51 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.247 -0.908 . . . . 0.0 109.629 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 696' ' ' VAL . 84.9 t -53.71 -52.64 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.274 -0.891 . . . . 0.0 109.847 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.53 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -58.88 -39.99 83.07 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.024 -1.047 . . . . 0.0 108.899 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.61 -45.96 75.9 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 108.799 -1.72 . . . . 0.0 108.799 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -53.58 -48.87 68.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -1.073 . . . . 0.0 109.379 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 21.7 mt -52.51 -56.87 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.839 -1.163 . . . . 0.0 108.02 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.495 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.2 tt -57.46 -49.81 75.07 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.472 0.654 . . . . 0.0 109.728 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.45 -48.81 76.17 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.257 -0.902 . . . . 0.0 110.046 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.82 -36.29 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.182 -0.949 . . . . 0.0 109.982 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.66 -40.34 11.0 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -31.27 72.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.67 61.17 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.98 -31.89 64.82 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 16.6 tp -53.61 -53.15 55.97 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.08 -52.0 66.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.709 -0.619 . . . . 0.0 110.359 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.71 -47.61 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.135 -0.978 . . . . 0.0 109.949 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.418 ' CD1' HG13 ' A' ' 984' ' ' VAL . 24.6 t-105 -67.36 -25.66 66.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.218 -0.926 . . . . 0.0 109.764 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -69.83 -47.03 64.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.907 -1.12 . . . . 0.0 110.043 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.04 -41.79 93.06 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.0 -37.69 77.46 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.323 -0.861 . . . . 0.0 109.673 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.7 OUTLIER -74.36 -32.64 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.5 m -76.42 -23.87 53.99 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.279 -0.888 . . . . 0.0 108.925 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 19.4 mt -68.51 -28.59 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.292 -0.88 . . . . 0.0 109.213 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -58.61 -34.2 70.86 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 108.389 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.71 -31.06 19.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.51 -0.744 . . . . 0.0 110.783 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -47.09 -32.46 4.16 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.866 -1.147 . . . . 0.0 109.677 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.554 ' HB3' ' HZ1' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -68.68 -59.23 3.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.027 -1.045 . . . . 0.0 109.137 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' B' ' 730' ' ' PHE . 24.9 tt0 -62.69 -48.4 79.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.196 -0.94 . . . . 0.0 108.534 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -51.84 -37.48 52.09 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.97 -54.08 6.7 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . 0.554 ' HZ1' ' HB3' ' B' ' 725' ' ' LYS . 1.1 mtmp? -52.83 -31.56 39.68 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.128 -0.982 . . . . 0.0 108.537 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.2 t80 -68.21 -56.76 7.57 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' B' ' 731' ' ' GLU . 0.5 OUTLIER -55.98 -38.79 70.9 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -52.81 -48.0 67.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.505 -0.747 . . . . 0.0 109.459 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -59.36 -52.92 63.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.394 -0.816 . . . . 0.0 109.614 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -51.9 -30.03 22.51 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.18 -0.95 . . . . 0.0 109.439 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.87 -50.52 12.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.252 -0.905 . . . . 0.0 109.583 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -54.91 -17.07 3.19 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.159 -0.963 . . . . 0.0 109.508 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.11 -43.76 41.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.213 -0.929 . . . . 0.0 109.602 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' B' ' 741' ' ' THR . 1.5 mppt? -56.98 -60.15 4.0 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 109.017 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -51.75 -21.47 2.79 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.48 ' O ' HG23 ' B' ' 741' ' ' THR . 19.2 t70 -97.6 17.82 16.91 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.368 0.604 . . . . 0.0 109.512 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.48 HG23 ' O ' ' B' ' 740' ' ' ASP . 33.2 p -157.46 -124.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 743' ' ' ASN . . . 61.47 47.28 6.78 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.434 -0.791 . . . . 0.0 108.899 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 742' ' ' ALA . 2.8 m-80 38.74 52.46 1.87 Allowed 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.252 0.549 . . . . 0.0 110.395 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.455 ' OD1' ' CD2' ' B' ' 746' ' ' LEU . 17.3 t-20 -46.74 108.56 0.87 Allowed Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 108.854 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.15 3.69 7.6 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 122.0 1.8 . . . . 0.0 113.794 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.455 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.2 pp -93.15 -37.92 11.86 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.405 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.1 OUTLIER -78.71 -48.93 13.97 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 62.1 tttm -42.77 -36.74 1.55 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.415 0.626 . . . . 0.0 109.587 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.645 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 2.1 tt0 -68.77 -69.74 0.31 Allowed 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 164.94 30.44 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' B' ' 752' ' ' SER . 43.8 p 48.76 52.97 13.12 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.971 -1.081 . . . . 0.0 109.154 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 137.71 0.06 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.633 -0.667 . . . . 0.0 109.278 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' B' ' 750' ' ' ALA . 29.5 m -144.61 -31.02 0.44 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.196 -0.94 . . . . 0.0 109.784 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 45.3 t80 -76.25 7.28 4.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.237 -0.914 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 9.5 t -89.22 1.2 56.03 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.757 -0.589 . . . . 0.0 109.426 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.07 43.31 2.17 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.585 -0.697 . . . . 0.0 109.396 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.815 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -46.13 160.47 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.231 -0.918 . . . . 0.0 109.697 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' B' ' 759' ' ' TYR . 0.6 OUTLIER -160.72 179.42 8.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.517 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.449 ' N ' ' OG1' ' B' ' 758' ' ' THR . 65.6 t80 -83.19 129.78 35.04 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 109.414 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -144.5 51.55 1.27 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.233 -0.917 . . . . 0.0 109.18 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 57.01 22.55 42.74 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.241 -1.152 . . . . 0.0 109.516 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.931 0 N-CA-C 119.787 2.675 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 958' ' ' GLY . . . -162.07 -167.09 1.56 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -1.136 . . . . 0.0 109.583 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.0 OUTLIER 49.99 -97.08 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.272 -0.893 . . . . 0.0 109.511 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 956' ' ' ALA . . . 161.54 -124.84 1.35 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 8.7 t 54.99 173.88 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.299 -1.118 . . . . 0.0 109.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' A' ' 962' ' ' ARG . 76.0 mm-40 -140.28 9.23 2.28 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.266 -0.897 . . . . 0.0 109.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.44 3.81 0.44 Allowed 'General case' 0 C--N 1.293 -1.851 0 O-C-N 121.787 -0.57 . . . . 0.0 109.643 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 960' ' ' GLU . 73.5 mtm180 -66.4 -173.53 0.22 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.199 -0.938 . . . . 0.0 109.509 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -168.6 -50.15 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.217 -0.927 . . . . 0.0 109.673 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 11.5 mt 48.68 68.85 3.12 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.188 -0.945 . . . . 0.0 109.7 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 967' ' ' TRP . 51.9 Cg_exo -52.91 102.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.262 2.642 . . . . 0.0 112.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.788 HD12 ' H ' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.49 -24.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.381 -0.824 . . . . 0.0 110.169 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.2 OUTLIER -51.88 -49.31 63.22 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 178.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -54.86 -56.13 22.79 Favored 'General case' 0 C--N 1.285 -2.202 0 CA-C-N 114.724 -1.125 . . . . 0.0 108.275 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 98.9 t -59.5 -38.92 77.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 966' ' ' ILE . 4.3 tt -68.11 -50.09 57.08 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 122.062 0.934 . . . . 0.0 109.68 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.03 -32.57 48.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.802 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -74.24 -47.27 18.16 Favored Glycine 0 C--N 1.291 -1.962 0 N-CA-C 107.301 -2.32 . . . . 0.0 107.301 178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.09 -29.64 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 974' ' ' LEU . 0.9 OUTLIER -69.58 -37.4 76.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -16.72 77.03 Favored Glycine 0 N--CA 1.482 1.722 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.539 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.05 -25.74 75.2 Favored Glycine 0 C--N 1.288 -2.129 0 N-CA-C 106.119 -2.792 . . . . 0.0 106.119 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -71.84 -42.82 66.48 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 176.867 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.582 ' O ' HD13 ' A' ' 978' ' ' LEU . 0.8 OUTLIER -58.45 -42.24 86.94 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 176.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.606 HD22 HG22 ' B' ' 704' ' ' ILE . 12.1 tp -70.88 -43.85 67.52 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.05 -1.031 . . . . 0.0 108.478 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 980' ' ' LEU . 3.8 tt -51.41 -40.17 58.76 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.45 -0.782 . . . . 0.0 109.168 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 2.1 m -73.24 -39.11 65.72 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.362 -0.836 . . . . 0.0 111.873 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 78.9 mt -73.02 -31.23 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.025 -1.047 . . . . 0.0 109.196 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.33 -46.94 46.48 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.4 t -59.77 -38.16 74.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.6 tp -79.09 -43.5 24.01 Favored 'General case' 0 C--N 1.282 -2.339 0 O-C-N 121.315 -0.866 . . . . 0.0 109.894 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.54 72.89 Favored 'General case' 0 C--N 1.284 -2.278 0 C-N-CA 119.071 -1.052 . . . . 0.0 110.194 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.612 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 4.3 ppp? -74.73 -39.79 61.67 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.612 ' N ' ' SD ' ' A' ' 987' ' ' MET . 0.0 OUTLIER -60.23 -36.94 78.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 177.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -76.02 -39.74 55.04 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.659 -0.651 . . . . 0.0 109.747 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -6.61 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.973 -1.08 . . . . 0.0 108.511 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.12 -29.63 0.39 Allowed Glycine 0 N--CA 1.499 2.849 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 988' ' ' TRP . 67.5 t80 -85.52 -17.57 35.99 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.169 -1.195 . . . . 0.0 110.069 -179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.18 -16.37 27.8 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 122.192 0.996 . . . . 0.0 108.503 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -71.12 -42.02 69.77 Favored 'General case' 0 C--N 1.285 -2.214 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 997' ' ' ARG . 47.3 mtp85 -97.87 -132.99 0.23 Allowed 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.676 0.751 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 997' ' ' ARG . 14.9 t-20 43.9 14.44 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.715 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 995' ' ' ARG . 0.7 OUTLIER -29.58 95.85 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.969 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 64.5 Cg_endo -84.61 7.49 5.15 Favored 'Trans proline' 0 CA--C 1.565 2.07 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 43.2 Cg_endo -89.22 -154.71 0.05 OUTLIER 'Trans proline' 0 N--CA 1.489 1.237 0 CA-C-N 122.444 1.909 . . . . 0.0 111.124 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' 1000 ' ' LEU . 0.3 OUTLIER -85.7 88.66 7.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.914 -1.116 . . . . 0.0 109.091 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -147.2 150.66 35.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.188 -0.945 . . . . 0.0 109.422 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.432 ' C ' ' H ' ' A' 1004 ' ' ASP . 5.9 mm-40 -53.37 112.57 0.92 Allowed 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.371 -0.831 . . . . 0.0 109.621 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -78.07 30.26 0.17 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.229 -0.92 . . . . 0.0 109.316 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' 1002 ' ' GLU . 99.2 m-20 -89.89 115.39 27.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.39 -0.819 . . . . 0.0 109.489 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -57.91 -49.13 77.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.144 -0.972 . . . . 0.0 109.451 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.624 ' CD ' ' H ' ' A' 1006 ' ' GLU . 3.5 mp0 -76.41 172.5 12.84 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.419 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 75.1 -67.49 2.1 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.225 -1.162 . . . . 0.0 109.292 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.936 0 N-CA-C 119.774 2.67 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -172.98 -32.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.274 -1.133 . . . . 0.0 109.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 11.6 ptp -163.28 -162.36 0.74 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -0.931 . . . . 0.0 109.513 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 86.55 154.01 24.34 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.526 ' O ' ' N ' ' B' ' 690' ' ' GLY . 80.4 p -171.22 38.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.344 -1.092 . . . . 0.0 109.455 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt 47.84 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.373 -0.829 . . . . 0.0 110.038 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' B' ' 688' ' ' SER . . . -91.33 -79.18 1.39 Allowed Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -35.17 -86.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.814 2.342 . . . . 0.0 112.65 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' B' ' 694' ' ' LEU . 20.5 t0 -167.35 -15.8 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.633 0 O-C-N 120.972 -1.08 . . . . 0.0 109.948 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.582 HG23 ' N ' ' B' ' 694' ' ' LEU . 15.0 tt -12.17 -49.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.574 0 C-N-CA 123.579 0.752 . . . . 0.0 112.77 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' B' ' 692' ' ' ASP . 24.5 tp -52.54 -41.88 63.92 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 120.937 -1.102 . . . . 0.0 109.34 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 692' ' ' ASP . 77.5 t -63.45 -54.47 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.027 . . . . 0.0 110.452 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.436 ' H ' HG22 ' B' ' 696' ' ' VAL . 6.4 m -71.79 -32.56 45.3 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 120.965 -1.085 . . . . 0.0 109.341 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.22 -48.47 78.73 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.082 -1.011 . . . . 0.0 108.488 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.499 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.1 tt -57.03 -49.49 75.66 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 29.5 t -56.62 -52.51 64.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.203 -0.936 . . . . 0.0 109.394 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.23 -53.39 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.249 -0.907 . . . . 0.0 109.325 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 5.7 tpp -54.8 -40.24 69.29 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.796 -0.565 . . . . 0.0 109.953 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -54.94 -43.12 82.26 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 108.92 -1.672 . . . . 0.0 108.92 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.64 -47.22 82.85 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.373 -1.075 . . . . 0.0 109.574 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.802 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.0 mp -53.17 -57.43 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.668 -1.27 . . . . 0.0 107.714 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -54.68 -42.66 71.66 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.437 0.637 . . . . 0.0 109.929 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.29 -44.05 59.85 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.247 -0.908 . . . . 0.0 110.26 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.96 -30.98 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.019 -1.051 . . . . 0.0 109.751 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.33 -39.33 12.76 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.833 -1.707 . . . . 0.0 108.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.525 ' O ' HD13 ' B' ' 709' ' ' LEU . 0.2 OUTLIER -63.16 -33.18 74.91 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 179.276 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.35 -43.55 77.2 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 980' ' ' LEU . . . -77.04 -33.59 57.28 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 109.189 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.57 -41.87 66.99 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.96 -51.72 44.21 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.359 0.599 . . . . 0.0 109.803 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.82 -38.27 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.081 -1.012 . . . . 0.0 110.055 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 7.7 t-105 -78.31 -24.12 46.81 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.079 -1.013 . . . . 0.0 109.436 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -39.98 95.19 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.027 -1.046 . . . . 0.0 108.4 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.44 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -76.87 -35.34 57.54 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.456 -0.777 . . . . 0.0 108.91 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.537 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.2 OUTLIER -61.38 -40.43 94.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.312 -0.867 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.58 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.2 mm -76.48 -32.28 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.042 -1.036 . . . . 0.0 109.096 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 53.8 m -71.34 -25.34 62.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.966 -1.084 . . . . 0.0 109.528 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 37.9 mt -71.1 -30.76 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.163 -0.961 . . . . 0.0 109.684 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -53.33 -27.61 24.29 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.978 -1.076 . . . . 0.0 108.811 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -87.48 -38.7 15.84 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.37 -0.831 . . . . 0.0 111.053 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -44.31 -33.79 1.73 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.948 -1.095 . . . . 0.0 110.207 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -58.76 4.51 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.04 -1.037 . . . . 0.0 109.112 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 60.2 tt0 -62.31 -47.9 82.24 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -51.03 -39.18 55.27 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.28 -59.8 2.56 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -26.12 4.51 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 121.218 -0.926 . . . . 0.0 109.505 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 38.2 t80 -71.38 -60.89 1.99 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 109.598 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -64.36 -23.89 67.45 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.11 -0.994 . . . . 0.0 108.896 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -63.69 -45.9 87.94 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.417 -0.802 . . . . 0.0 109.09 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.46 -47.68 82.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.335 -0.853 . . . . 0.0 108.919 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -62.66 -22.26 66.33 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.363 -0.836 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.2 -48.27 13.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.218 -0.926 . . . . 0.0 109.557 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -57.81 -29.23 64.73 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.046 -1.034 . . . . 0.0 109.536 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.36 69.22 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 0.0 109.378 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 741' ' ' THR . 6.5 mmmt -62.55 -63.77 1.13 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.378 -0.826 . . . . 0.0 109.782 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -51.07 -20.53 1.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.5 t0 -94.56 19.65 9.53 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 121.462 0.648 . . . . 0.0 109.342 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.507 ' N ' ' O ' ' B' ' 738' ' ' LYS . 1.9 m -169.16 -137.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.585 -0.697 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 56.22 -131.14 1.74 Allowed 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -67.13 37.36 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.86 0 O-C-N 121.418 -0.801 . . . . 0.0 110.062 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' B' ' 742' ' ' ALA . 15.8 t-20 -137.58 66.0 49.03 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.056 -1.028 . . . . 0.0 110.192 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -92.86 22.25 0.61 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.893 2.396 . . . . 0.0 112.653 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.412 HD23 ' H ' ' B' ' 746' ' ' LEU . 0.2 OUTLIER -85.62 -34.93 21.27 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.291 -0.881 . . . . 0.0 109.172 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -56.52 6.45 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -44.91 -39.73 5.69 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.351 0.596 . . . . 0.0 109.662 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -69.8 -57.66 4.82 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.398 -0.813 . . . . 0.0 109.317 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 52.56 31.72 10.46 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.341 -0.849 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 10.5 p -83.11 -85.31 0.12 Allowed 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 122.225 1.012 . . . . 0.0 109.157 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 28.5 p -151.73 121.68 7.1 Favored 'General case' 0 C--N 1.287 -2.142 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.026 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 90.6 m -85.8 -79.75 0.24 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.291 -0.881 . . . . 0.0 109.274 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -136.97 7.43 2.93 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.743 0.782 . . . . 0.0 109.188 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 2.5 m -84.51 18.08 2.42 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -94.34 31.86 1.65 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.112 -0.993 . . . . 0.0 109.583 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.452 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.8 mp -62.02 146.76 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.18 172.81 15.19 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.187 -0.945 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -84.19 145.9 28.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.262 -0.898 . . . . 0.0 109.478 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 19.1 mtp-105 -64.02 144.75 56.85 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.521 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -161.99 -79.03 0.03 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.257 -1.143 . . . . 0.0 109.492 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 957' ' ' MET . . . . . . . . 1 N--CA 1.531 4.971 0 N-CA-C 119.713 2.645 . . . . 0.0 119.713 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -75.83 38.52 0.16 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.224 -1.162 . . . . 0.0 109.509 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.414 ' H ' ' C ' ' A' ' 955' ' ' GLY . 13.3 mtp -77.3 131.64 38.23 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.519 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 959' ' ' SER . . . 178.36 -63.28 0.08 OUTLIER Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 958' ' ' GLY . 2.2 t 51.54 95.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.251 -1.147 . . . . 0.0 109.503 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.516 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 17.5 mm-40 -74.35 5.97 4.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.58 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 3.5 mp0 -87.99 -18.01 29.97 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.756 -0.59 . . . . 0.0 109.504 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 38.2 ttt85 47.24 56.33 7.02 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -152.12 -52.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.317 -0.864 . . . . 0.0 109.408 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.51 69.27 2.8 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.238 -0.914 . . . . 0.0 109.668 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.16 86.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 123.037 2.491 . . . . 0.0 112.012 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.7 mm -53.38 -22.05 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.32 -0.863 . . . . 0.0 109.991 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -53.15 -51.19 62.79 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -54.78 -52.05 63.82 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 77.7 t -59.94 -44.45 94.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.0 tt -55.49 -50.18 70.59 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.998 0.904 . . . . 0.0 109.003 179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.02 -33.21 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.24 15.86 Favored Glycine 0 C--N 1.288 -2.1 0 N-CA-C 107.61 -2.196 . . . . 0.0 107.61 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.6 t -67.65 -24.59 31.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.572 -0.958 . . . . 0.0 108.746 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.3 tt -71.78 -36.83 70.47 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.04 -18.77 78.02 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.718 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.47 -24.72 76.02 Favored Glycine 0 C--N 1.289 -2.069 0 N-CA-C 106.553 -2.619 . . . . 0.0 106.553 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 13.4 tp -73.68 -43.17 60.07 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.57 -42.13 96.04 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.735 HD22 HG22 ' B' ' 704' ' ' ILE . 11.1 tp -70.67 -46.46 63.18 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.7 tt -50.37 -38.66 43.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.424 -0.798 . . . . 0.0 109.737 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 25.8 p -73.19 -39.93 65.19 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 119.419 -0.913 . . . . 0.0 111.642 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 75.1 mt -74.5 -30.61 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.099 -1.001 . . . . 0.0 109.441 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.438 ' HG ' HD23 ' B' ' 712' ' ' LEU . 0.9 OUTLIER -73.92 -44.68 54.32 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.94 -39.29 71.08 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.8 tp -75.51 -40.27 57.31 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.825 0.821 . . . . 0.0 109.668 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.37 79.44 Favored 'General case' 0 C--N 1.28 -2.424 0 C-N-CA 118.767 -1.173 . . . . 0.0 109.637 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.542 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.02 -36.13 64.43 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.656 178.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.542 ' N ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -62.01 -38.89 90.33 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 177.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.9 tptt -67.88 -45.48 74.35 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.8 0.809 . . . . 0.0 109.067 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 990' ' ' VAL . 25.3 t -57.11 -1.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 O-C-N 121.49 -0.756 . . . . 0.0 109.448 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.35 -28.77 0.41 Allowed Glycine 0 N--CA 1.501 3.031 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 988' ' ' TRP . 51.1 t80 -86.47 -16.55 36.73 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.674 -0.898 . . . . 0.0 109.685 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -101.0 -21.39 15.05 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 122.341 1.067 . . . . 0.0 108.455 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -61.87 -46.5 89.15 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 997' ' ' ARG . 47.7 mtp180 -86.2 -142.99 0.1 Allowed 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.58 0.705 . . . . 0.0 109.821 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 997' ' ' ARG . 8.7 t30 45.99 10.56 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.16 0.505 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 995' ' ' ARG . 1.6 mmt85 -32.12 96.93 0.1 OUTLIER Pre-proline 0 N--CA 1.494 1.763 0 C-N-CA 122.76 0.424 . . . . 0.0 111.933 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.9 Cg_endo -80.76 1.43 9.3 Favored 'Trans proline' 0 CA--C 1.568 2.193 0 N-CA-C 116.766 1.795 . . . . 0.0 116.766 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.0 Cg_endo -92.0 -149.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 CA-C-N 122.534 1.941 . . . . 0.0 111.54 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 999' ' ' PRO . 11.8 mt -57.71 -110.69 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.096 -1.002 . . . . 0.0 109.496 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 6.6 tp10 51.81 72.92 0.35 Allowed 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.391 -0.818 . . . . 0.0 109.56 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.588 ' H ' ' CD ' ' A' 1002 ' ' GLU . 22.4 mp0 -83.48 154.47 23.89 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.27 -0.894 . . . . 0.0 109.551 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.05 29.49 0.73 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 0.0 109.392 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -94.45 27.84 2.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.348 -0.845 . . . . 0.0 109.567 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -111.05 -85.13 0.56 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.96 116.89 2.2 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.282 -0.887 . . . . 0.0 109.482 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.01 24.76 0.03 OUTLIER Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.2 tp10 . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.295 -1.121 . . . . 0.0 109.526 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.968 0 N-CA-C 119.728 2.651 . . . . 0.0 119.728 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -57.31 106.42 0.32 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -1.155 . . . . 0.0 109.457 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -169.72 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.496 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -64.78 -121.74 0.01 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 22.9 m -152.33 163.96 38.41 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.22 -1.165 . . . . 0.0 109.585 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -86.54 -67.2 0.83 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.623 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -47.68 -82.17 0.04 OUTLIER Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.91 -149.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.407 2.072 . . . . 0.0 110.933 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -132.86 -96.49 0.31 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 9.9 tt -170.99 -33.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.508 ' O ' HD13 ' B' ' 694' ' ' LEU . 0.2 OUTLIER -63.04 -43.34 98.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.483 -0.761 . . . . 0.0 109.216 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.57 -54.24 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 110.024 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.429 ' H ' HG22 ' B' ' 696' ' ' VAL . 5.1 m -69.22 -37.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.101 -0.999 . . . . 0.0 109.462 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.1 tp -67.37 -43.99 80.07 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.127 -0.983 . . . . 0.0 108.888 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 19.3 tp -52.11 -45.77 65.02 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.291 -0.881 . . . . 0.0 109.027 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 4.1 t -57.2 -52.52 64.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.309 -0.869 . . . . 0.0 109.659 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.77 -35.36 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.0 109.535 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.3 mmt -62.41 -39.77 94.35 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -58.96 -39.4 94.11 Favored Glycine 0 N--CA 1.487 2.069 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.9 91.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.53 -0.982 . . . . 0.0 108.81 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.735 HG22 HD22 ' A' ' 979' ' ' LEU . 61.6 mt -52.99 -56.27 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.477 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.9 tt -56.54 -49.32 75.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.377 0.608 . . . . 0.0 109.617 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.67 -48.63 74.04 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.321 -0.862 . . . . 0.0 110.098 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 60.8 mt -52.67 -36.47 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.022 -1.049 . . . . 0.0 109.524 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.82 -42.21 9.12 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.923 -1.671 . . . . 0.0 108.923 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.6 tp -60.12 -31.44 70.06 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.23 -43.15 64.82 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.93 65.2 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.465 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.47 -51.08 68.13 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.86 -51.56 68.77 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.406 -0.809 . . . . 0.0 110.091 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.05 -43.32 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.096 -1.003 . . . . 0.0 110.193 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 984' ' ' VAL . 11.4 t-105 -72.05 -23.71 61.42 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.809 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -38.71 85.41 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.067 -1.02 . . . . 0.0 108.995 179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.414 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.2 mp -75.73 -36.9 59.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.405 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.9 tt -61.9 -38.07 86.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.062 -1.024 . . . . 0.0 109.599 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.535 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.5 mm -74.79 -32.78 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.165 -0.959 . . . . 0.0 108.552 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.7 m -70.27 -41.23 73.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.426 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 53.9 mt -57.6 -23.97 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.778 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -70.37 -33.02 70.94 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.16 -28.87 22.19 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.507 -0.745 . . . . 0.0 110.082 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -45.35 -33.47 2.52 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.102 -0.999 . . . . 0.0 109.972 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -58.98 4.2 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.128 -0.982 . . . . 0.0 108.892 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.7 -46.31 86.07 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -52.5 -38.05 58.69 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 108.164 -1.051 . . . . 0.0 108.164 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -77.37 -56.16 4.78 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -29.5 11.98 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 121.155 -0.966 . . . . 0.0 108.803 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -70.24 -60.37 2.32 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -60.05 -29.72 68.72 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.381 0.61 . . . . 0.0 109.395 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -64.77 -44.44 90.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.245 -0.91 . . . . 0.0 109.515 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -61.16 -47.17 87.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.28 -0.887 . . . . 0.0 109.561 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -62.97 -22.82 67.1 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.233 -0.917 . . . . 0.0 109.628 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -74.81 -47.89 28.22 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.193 -0.942 . . . . 0.0 109.946 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -62.51 -41.44 98.84 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.143 -0.973 . . . . 0.0 110.0 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.78 -43.44 27.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.047 -1.033 . . . . 0.0 109.456 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -70.12 -57.67 4.68 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.783 0.802 . . . . 0.0 109.791 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.475 ' C ' ' H ' ' B' ' 741' ' ' THR . 4.3 t-105 -51.07 -21.79 2.06 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -75.86 14.21 0.71 Allowed 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.475 ' H ' ' C ' ' B' ' 739' ' ' TRP . 55.2 p -153.95 -150.42 0.32 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 741' ' ' THR . . . 56.95 107.06 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.232 -0.917 . . . . 0.0 109.206 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 743' ' ' ASN . 28.7 t-20 56.06 22.81 6.22 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 110.306 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -138.16 65.77 44.09 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.316 -0.865 . . . . 0.0 109.781 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -92.93 21.96 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 123.001 2.467 . . . . 0.0 112.728 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.17 -37.38 23.75 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.298 -0.876 . . . . 0.0 108.988 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.93 -57.15 3.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -43.95 -31.06 0.8 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.296 0.569 . . . . 0.0 109.619 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.55 -61.8 2.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.372 -0.83 . . . . 0.0 108.97 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -170.29 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.415 -0.803 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.45 ' O ' ' OG1' ' B' ' 751' ' ' THR . 0.5 OUTLIER -179.99 31.79 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.464 -0.773 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 1.9 t 176.34 160.9 0.34 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.067 -1.021 . . . . 0.0 109.64 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 75.0 m -157.27 -84.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.28 -0.887 . . . . 0.0 109.414 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 755' ' ' THR . 12.4 t80 -77.54 -155.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.437 -0.789 . . . . 0.0 109.226 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.415 ' C ' ' O ' ' B' ' 754' ' ' PHE . 10.2 t 38.34 35.83 0.11 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.688 -0.632 . . . . 0.0 110.49 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -124.3 28.76 6.58 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.625 -0.672 . . . . 0.0 109.414 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.698 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.2 mp -80.79 111.86 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.314 -0.866 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 760' ' ' ARG . 49.1 p -61.21 166.66 3.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.349 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' B' ' 761' ' ' GLY . 1.4 p90 -75.76 24.33 0.12 Allowed 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.171 -0.956 . . . . 0.0 109.395 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' B' ' 758' ' ' THR . 25.8 mtp180 36.86 32.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.305 0.574 . . . . 0.0 110.548 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 759' ' ' TYR . . . 68.98 -129.54 24.05 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.252 -1.146 . . . . 0.0 109.466 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.919 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -71.67 -39.97 69.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.213 -1.169 . . . . 0.0 109.403 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 35.8 mtm -81.06 -129.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 109.362 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.411 ' O ' ' OG ' ' A' ' 959' ' ' SER . . . -79.38 -78.28 0.87 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 958' ' ' GLY . 60.1 p 49.23 89.01 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.221 -1.164 . . . . 0.0 109.414 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.513 ' N ' ' OE2' ' A' ' 961' ' ' GLU . 21.3 mp0 -79.22 6.21 10.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.242 -0.911 . . . . 0.0 109.439 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' A' ' 961' ' ' GLU . 2.2 mp0 -71.11 -37.96 72.34 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.791 -0.568 . . . . 0.0 109.559 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -77.35 161.1 28.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.331 -0.856 . . . . 0.0 109.675 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -149.1 9.07 0.75 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.256 -0.903 . . . . 0.0 109.556 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 966' ' ' ILE . 14.6 mt 44.98 66.93 4.61 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.162 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.57 82.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.926 0 C-N-CA 123.025 2.483 . . . . 0.0 112.473 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.7 mm -51.79 -22.03 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 120.965 -1.084 . . . . 0.0 109.69 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -54.56 -50.38 68.1 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -55.14 -55.4 31.61 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 114.438 -1.256 . . . . 0.0 108.058 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 10.1 t -59.81 -39.52 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 966' ' ' ILE . 5.5 tt -59.99 -50.66 72.88 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 122.216 1.008 . . . . 0.0 108.858 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.9 t -57.94 -33.98 47.45 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' B' ' 704' ' ' ILE . . . -76.78 -46.97 10.29 Favored Glycine 0 C--N 1.29 -1.981 0 N-CA-C 107.93 -2.068 . . . . 0.0 107.93 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.1 -31.01 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.563 -0.963 . . . . 0.0 108.445 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 970' ' ' LEU . 4.0 tp -69.05 -40.22 78.67 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.78 -16.31 76.19 Favored Glycine 0 N--CA 1.48 1.627 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.434 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.08 -24.65 76.4 Favored Glycine 0 C--N 1.29 -2.009 0 N-CA-C 106.89 -2.484 . . . . 0.0 106.89 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -75.59 -40.44 56.54 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.2 -41.47 98.39 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.665 HD22 HG22 ' B' ' 704' ' ' ILE . 6.2 tp -70.27 -45.71 65.82 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.07 -39.38 42.08 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.394 -0.816 . . . . 0.0 109.897 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 55.0 m -73.47 -40.76 63.89 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.203 -0.935 . . . . 0.0 111.384 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 77.0 mt -74.64 -30.56 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.251 -0.905 . . . . 0.0 109.974 -178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' B' ' 712' ' ' LEU . 1.4 tp -74.28 -43.6 56.17 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.429 HG13 ' NE1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.32 -39.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.832 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.6 tp -75.36 -40.15 58.44 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 119.786 -0.766 . . . . 0.0 109.416 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.69 76.98 Favored 'General case' 0 C--N 1.283 -2.29 0 C-N-CA 118.792 -1.163 . . . . 0.0 109.55 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.567 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.49 -35.72 65.7 Favored 'General case' 0 C--N 1.305 -1.366 0 C-N-CA 118.521 -1.272 . . . . 0.0 107.663 179.182 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.568 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -66.13 -35.16 79.76 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.7 mptt -75.04 -40.76 60.17 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.706 0.765 . . . . 0.0 109.019 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -4.22 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.11 -0.994 . . . . 0.0 108.759 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.17 -29.58 0.33 Allowed Glycine 0 N--CA 1.498 2.783 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 988' ' ' TRP . 85.6 t80 -86.39 -16.54 36.96 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.235 -1.156 . . . . 0.0 109.855 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.94 -14.19 24.67 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.304 1.05 . . . . 0.0 108.592 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -76.39 -43.8 38.99 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.02 0.914 . . . . 0.0 108.847 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 997' ' ' ARG . 76.5 mtp180 -79.94 -0.16 33.9 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-O 121.818 0.818 . . . . 0.0 111.697 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 997' ' ' ARG . 22.8 t-20 -51.03 -8.29 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 O-C-N 121.756 -0.59 . . . . 0.0 109.547 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.563 ' H ' ' C ' ' A' ' 995' ' ' ARG . 6.4 mmt180 -29.01 95.23 0.06 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.05 179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 44.9 Cg_endo -90.77 15.25 1.84 Allowed 'Trans proline' 0 CA--C 1.564 2.023 0 C-N-CA 121.854 1.703 . . . . 0.0 116.027 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 41.2 Cg_endo -88.07 -156.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.576 0 CA-C-N 122.223 1.83 . . . . 0.0 111.936 179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 8.0 tp -93.31 48.92 1.35 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.128 -0.983 . . . . 0.0 109.018 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1002 ' ' GLU . 6.6 tm-20 -75.84 6.47 5.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.152 -0.968 . . . . 0.0 109.154 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.478 ' O ' ' O ' ' A' 1001 ' ' GLU . 25.3 mt-10 -59.04 -145.38 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.865 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -42.96 108.6 0.11 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.369 -0.832 . . . . 0.0 110.091 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -167.36 90.73 0.36 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 109.443 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.08 -118.45 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.353 -0.842 . . . . 0.0 109.761 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.51 152.94 24.59 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 162.62 154.78 7.74 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 31.5 tp10 . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.238 -1.154 . . . . 0.0 109.657 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.813 2.685 . . . . 0.0 119.813 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -59.54 156.6 13.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.259 -1.142 . . . . 0.0 109.497 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 686' ' ' MET . 0.0 OUTLIER -163.57 156.52 18.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.287 -0.883 . . . . 0.0 109.451 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 58.57 -136.56 50.99 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 57.7 m -158.51 109.57 2.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -1.156 . . . . 0.0 109.374 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -82.42 17.92 1.6 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.242 -0.911 . . . . 0.0 109.531 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.15 -64.6 2.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.1 -100.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.882 2.388 . . . . 0.0 111.891 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' B' ' 694' ' ' LEU . 36.1 t0 -157.26 -23.73 0.09 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 110.231 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.542 HG22 ' O ' ' B' ' 692' ' ' ASP . 17.5 tt 48.96 -4.23 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 CA-C-O 120.797 0.332 . . . . 0.0 111.648 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.603 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.99 -55.01 5.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.412 -1.43 . . . . 0.0 109.826 179.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.43 -53.92 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.26 -0.9 . . . . 0.0 111.643 -178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 8.2 m -58.17 -38.76 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.844 -1.16 . . . . 0.0 110.427 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.73 -43.69 94.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.898 -1.126 . . . . 0.0 108.788 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.85 -41.78 74.85 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.235 -0.915 . . . . 0.0 108.711 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 10.4 t -63.42 -46.58 85.71 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.232 -0.918 . . . . 0.0 108.987 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 74.2 t -56.12 -51.39 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.368 -0.832 . . . . 0.0 109.365 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.78 -37.11 70.66 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.178 -0.951 . . . . 0.0 109.082 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -55.75 -50.88 58.6 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.99 59.36 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.196 -1.179 . . . . 0.0 109.098 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.665 HG22 HD22 ' A' ' 979' ' ' LEU . 31.1 mt -52.7 -57.58 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -56.52 -49.66 74.09 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.383 0.611 . . . . 0.0 109.56 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.56 -50.72 71.51 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.421 -0.799 . . . . 0.0 109.87 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.0 mt -52.72 -35.77 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.121 -0.987 . . . . 0.0 109.701 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -81.95 -42.24 9.01 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -58.78 -31.62 68.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.6 -45.22 60.18 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.05 70.35 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.685 -0.806 . . . . 0.0 108.948 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.2 OUTLIER -55.95 -50.24 71.33 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.35 -54.6 45.15 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.639 -0.663 . . . . 0.0 110.534 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.452 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.49 -46.44 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.847 -1.158 . . . . 0.0 109.684 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.429 ' NE1' HG13 ' A' ' 984' ' ' VAL . 24.3 t-105 -65.67 -23.25 66.74 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.087 -1.008 . . . . 0.0 110.236 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -69.89 -47.48 62.4 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.944 -1.097 . . . . 0.0 109.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 717' ' ' LEU . 9.0 mp -61.96 -36.59 81.87 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 108.566 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.4 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 1.2 tt -63.32 -37.32 86.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.238 -0.914 . . . . 0.0 109.348 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.568 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.9 OUTLIER -76.55 -32.71 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -0.896 . . . . 0.0 108.723 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.1 m -73.58 -30.21 62.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.144 -0.973 . . . . 0.0 109.775 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 50.2 mt -71.15 -39.81 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 120.977 -1.077 . . . . 0.0 109.862 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -53.62 -32.2 50.25 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.881 -1.137 . . . . 0.0 108.412 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.58 -30.7 20.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -46.09 -33.07 3.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.9 -1.125 . . . . 0.0 109.771 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -59.39 3.18 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.073 -1.017 . . . . 0.0 109.24 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' B' ' 730' ' ' PHE . 47.7 tt0 -62.84 -47.87 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -51.41 -38.94 56.07 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.47 -59.74 2.59 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.71 -27.69 5.11 Favored 'General case' 0 C--N 1.308 -1.223 0 O-C-N 121.282 -0.886 . . . . 0.0 109.231 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.3 t80 -69.14 -60.88 2.05 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.197 -0.939 . . . . 0.0 109.252 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.43 -24.64 66.48 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.76 -0.588 . . . . 0.0 109.456 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -63.45 -46.22 87.26 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.55 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -70.91 -40.4 72.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.524 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -68.96 -26.18 64.92 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.2 -0.937 . . . . 0.0 109.5 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.01 44.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.302 -0.874 . . . . 0.0 109.441 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' B' ' 740' ' ' ASP . 88.9 mtt180 -66.35 -39.19 89.02 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.262 -0.899 . . . . 0.0 109.71 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.23 31.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.149 -0.969 . . . . 0.0 109.443 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' B' ' 741' ' ' THR . 11.0 mmtt -66.73 -64.08 0.93 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.371 -0.83 . . . . 0.0 109.698 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -51.34 -21.24 2.1 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' B' ' 736' ' ' ARG . 28.2 t0 -84.67 18.62 2.28 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.603 0.716 . . . . 0.0 109.103 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.424 ' N ' ' O ' ' B' ' 738' ' ' LYS . 62.4 p -153.86 -148.53 0.25 Allowed 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 55.85 -132.89 1.6 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.058 -1.026 . . . . 0.0 108.43 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -69.05 34.98 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.374 -0.829 . . . . 0.0 109.87 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' B' ' 742' ' ' ALA . 53.1 t30 -138.77 67.93 43.24 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.046 -1.034 . . . . 0.0 109.779 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -93.14 25.78 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 123.218 2.612 . . . . 0.0 111.932 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.427 HD12 ' N ' ' B' ' 747' ' ' TYR . 2.3 pp -44.03 -39.66 4.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.645 -0.66 . . . . 0.0 109.903 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' B' ' 749' ' ' GLU . 1.4 t80 -79.56 -65.66 0.97 Allowed 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -42.07 -24.1 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 121.268 0.556 . . . . 0.0 110.015 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 747' ' ' TYR . 3.2 tp10 -79.17 -64.34 1.21 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -177.21 -7.27 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.628 -0.67 . . . . 0.0 110.669 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.24 40.73 14.2 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.755 -1.216 . . . . 0.0 109.073 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.1 m 61.09 104.99 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.223 -0.923 . . . . 0.0 109.776 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.403 ' C ' ' H ' ' B' ' 755' ' ' THR . 55.2 m -160.88 -33.69 0.05 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.407 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 57.3 t80 -75.82 10.81 1.62 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.426 -0.796 . . . . 0.0 109.388 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 755' ' ' THR . 5.1 t -89.98 14.79 11.34 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.685 -0.635 . . . . 0.0 109.804 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -141.84 57.54 1.49 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.163 -0.961 . . . . 0.0 109.688 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.818 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.5 mp -49.23 120.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.197 -0.939 . . . . 0.0 109.466 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 17.8 p -82.23 147.05 29.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 109.422 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -48.56 137.11 12.17 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.201 -0.937 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -76.29 -176.41 3.6 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.908 . . . . 0.0 109.446 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -49.42 -33.34 16.69 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.259 -1.142 . . . . 0.0 109.434 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.938 0 N-CA-C 119.729 2.652 . . . . 0.0 119.729 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . 0.421 ' H ' ' H ' ' A' ' 957' ' ' MET . . . -162.77 -5.65 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -1.128 . . . . 0.0 109.373 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.421 ' H ' ' H ' ' A' ' 956' ' ' ALA . 28.0 ttt -162.22 -21.08 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.291 -0.88 . . . . 0.0 109.46 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -174.27 163.71 34.57 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 961' ' ' GLU . 23.2 t -163.94 166.42 21.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.377 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.22 6.77 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.258 -0.902 . . . . 0.0 109.358 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 959' ' ' SER . 29.3 mt-10 -89.59 -28.19 19.72 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.671 -0.643 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 37.6 mtm180 -76.09 112.77 12.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -0.929 . . . . 0.0 109.543 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -85.3 17.24 3.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.174 -0.954 . . . . 0.0 109.583 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.444 ' N ' ' HD3' ' A' ' 965' ' ' PRO . 10.4 mt 50.46 63.87 9.26 Favored Pre-proline 0 C--N 1.304 -1.394 0 O-C-N 121.269 -0.894 . . . . 0.0 109.269 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 71.7 Cg_endo -89.62 64.64 2.27 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.118 2.545 . . . . 0.0 112.254 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.97 -21.23 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.493 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 965' ' ' PRO . 0.0 OUTLIER -50.79 -49.61 57.95 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -53.57 -52.01 61.13 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.369 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.13 -45.0 97.7 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.97 -49.31 78.36 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.931 0.872 . . . . 0.0 109.488 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.33 -29.58 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.523 0.678 . . . . 0.0 109.295 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.666 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.84 -46.98 10.13 Favored Glycine 0 C--N 1.292 -1.915 0 N-CA-C 107.713 -2.155 . . . . 0.0 107.713 178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.0 -26.38 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.411 -1.053 . . . . 0.0 108.893 178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . . . . . . . . . 6.3 tt -71.49 -36.92 71.3 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.83 -17.91 75.62 Favored Glycine 0 C--N 1.296 -1.67 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.755 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.95 -26.43 73.97 Favored Glycine 0 C--N 1.287 -2.142 0 N-CA-C 107.09 -2.404 . . . . 0.0 107.09 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.9 mp -74.76 -35.7 62.57 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.0 tp -68.76 -41.07 79.38 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.738 HD22 HG22 ' B' ' 704' ' ' ILE . 10.0 tp -71.58 -41.25 69.24 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -50.89 -41.27 58.22 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.369 -0.832 . . . . 0.0 109.332 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.7 m -73.27 -39.47 65.37 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.555 -0.716 . . . . 0.0 111.479 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.0 mt -74.23 -31.42 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.207 -0.933 . . . . 0.0 109.557 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.3 -44.31 59.33 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.427 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -57.82 -39.64 72.02 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.856 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 177.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 989' ' ' LYS . 3.9 tp -75.78 -41.44 52.99 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 119.489 -0.884 . . . . 0.0 109.562 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -57.87 -38.09 75.12 Favored 'General case' 0 C--N 1.284 -2.251 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.35 -177.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.1 ptm -73.77 -36.69 65.11 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 117.696 -1.602 . . . . 0.0 107.514 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.827 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.05 -34.12 77.66 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 178.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.6 mptt -79.95 -36.15 36.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.64 -0.662 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -55.64 -6.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 O-C-N 120.873 -1.142 . . . . 0.0 108.713 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.83 -29.54 0.3 Allowed Glycine 0 N--CA 1.499 2.848 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -85.21 -16.98 38.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.156 -1.202 . . . . 0.0 110.11 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -14.42 30.5 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 122.342 1.067 . . . . 0.0 108.418 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -68.67 -40.76 79.98 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -99.78 107.45 19.5 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.782 0.801 . . . . 0.0 109.185 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -123.46 34.54 5.07 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 7.6 mmt180 -108.46 91.28 8.2 Favored Pre-proline 0 N--CA 1.488 1.442 0 O-C-N 121.728 -0.607 . . . . 0.0 112.342 -178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.477 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 39.7 Cg_endo -89.64 14.63 2.12 Favored 'Trans proline' 0 CA--C 1.567 2.139 0 C-N-CA 122.01 1.806 . . . . 0.0 115.55 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 24.2 Cg_endo -88.42 -107.08 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.344 0 CA-C-N 122.275 1.848 . . . . 0.0 111.491 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.38 59.65 1.73 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -49.94 116.72 1.94 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -91.68 79.45 5.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.339 -0.851 . . . . 0.0 109.649 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.7 83.48 4.07 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.465 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.513 ' O ' ' C ' ' A' 1005 ' ' GLU . 1.1 p30 -84.96 -165.04 1.08 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.205 -0.934 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' 1004 ' ' ASP . 40.3 mt-10 12.44 -116.04 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 123.171 0.589 . . . . 0.0 112.506 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -85.1 -79.05 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.214 -0.929 . . . . 0.0 109.471 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -135.15 -41.38 0.14 Allowed Glycine 0 N--CA 1.498 2.779 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.243 -1.151 . . . . 0.0 109.321 179.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.965 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -67.49 134.78 51.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -1.134 . . . . 0.0 109.592 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 14.6 mmt 52.47 -143.04 0.72 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.308 -0.87 . . . . 0.0 109.732 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 88.36 -146.61 19.64 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 1.9 t -144.9 128.09 16.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.188 -1.184 . . . . 0.0 109.164 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.402 ' HB3' ' HZ2' ' B' ' 689' ' ' LYS . 16.5 mtpp -88.97 -49.09 6.99 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.242 -0.911 . . . . 0.0 110.058 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -46.54 -63.11 3.24 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.438 ' O ' ' O ' ' B' ' 690' ' ' GLY . 51.7 Cg_exo -55.25 -131.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.469 2.113 . . . . 0.0 112.075 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.674 ' O ' HG22 ' B' ' 693' ' ' ILE . 34.5 t0 -159.05 -26.71 0.07 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.314 -0.866 . . . . 0.0 109.864 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.674 HG22 ' O ' ' B' ' 692' ' ' ASP . 3.4 tp 51.23 -4.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-O 121.088 0.47 . . . . 0.0 111.107 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -76.29 -54.14 7.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.438 -1.414 . . . . 0.0 109.252 179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.78 -53.2 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.446 -0.784 . . . . 0.0 110.39 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.554 HG23 ' N ' ' B' ' 697' ' ' LEU . 5.3 m -60.17 -46.02 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.079 -1.013 . . . . 0.0 109.971 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 696' ' ' VAL . 11.9 tp -57.53 -41.86 81.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.111 -0.993 . . . . 0.0 109.391 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.0 OUTLIER -59.78 -41.65 91.58 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.245 -0.91 . . . . 0.0 109.313 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 35.5 p -64.05 -52.54 58.89 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.146 -0.971 . . . . 0.0 109.855 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 13.2 t -63.27 -40.02 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.125 -0.985 . . . . 0.0 109.254 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.6 mmt -61.72 -35.72 78.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.603 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -60.25 -42.6 98.79 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.74 92.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.407 -1.055 . . . . 0.0 108.502 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.755 HG23 ' HA2' ' A' ' 976' ' ' GLY . 69.0 mt -53.34 -53.86 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -59.11 -44.28 91.97 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.4 0.619 . . . . 0.0 109.741 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.25 -45.72 65.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.368 -0.833 . . . . 0.0 110.31 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.6 mt -53.12 -36.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.088 -1.008 . . . . 0.0 110.075 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.71 -39.37 10.64 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.2 tt -60.52 -31.81 70.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.44 -44.67 62.06 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.84 82.61 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.556 HD23 ' C ' ' B' ' 712' ' ' LEU . 6.1 tt -57.19 -54.07 50.93 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 10.1 tp -48.16 -56.81 6.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.553 -0.717 . . . . 0.0 110.2 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 93.0 mt -57.46 -53.3 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.872 -1.143 . . . . 0.0 109.501 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 15.1 t-105 -60.64 -23.55 64.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.406 -0.809 . . . . 0.0 109.906 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 712' ' ' LEU . 1.4 tmtp? -67.82 -43.41 79.67 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.928 -1.107 . . . . 0.0 108.523 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.47 -42.81 92.87 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 5.9 tt -59.64 -37.63 79.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.193 -0.942 . . . . 0.0 109.693 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.827 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.5 mm -73.13 -36.71 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.925 -1.109 . . . . 0.0 108.208 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 61.9 m -76.86 -36.41 56.82 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.175 -0.953 . . . . 0.0 110.141 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 48.3 mt -63.69 -40.85 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.021 -1.049 . . . . 0.0 110.15 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -51.91 -32.14 31.49 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.728 -1.232 . . . . 0.0 108.386 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -87.99 -33.83 18.26 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.497 -0.752 . . . . 0.0 110.724 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -45.99 -32.41 2.75 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.945 -1.097 . . . . 0.0 109.745 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -58.46 4.49 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.174 -0.954 . . . . 0.0 108.95 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 730' ' ' PHE . 40.6 tt0 -61.68 -49.35 76.86 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -48.8 -42.66 36.7 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.03 1.55 Allowed 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -24.4 1.79 Allowed 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.463 -0.773 . . . . 0.0 109.396 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.498 ' N ' ' O ' ' B' ' 726' ' ' GLU . 33.9 t80 -67.05 -61.23 2.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.194 -0.941 . . . . 0.0 109.684 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -69.61 -23.54 63.53 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.612 -0.68 . . . . 0.0 109.826 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.0 -40.19 94.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.142 -0.974 . . . . 0.0 109.606 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -76.67 -38.73 54.01 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.254 -0.904 . . . . 0.0 110.051 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -64.84 -22.99 67.1 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.066 -1.021 . . . . 0.0 109.797 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -84.31 -47.14 11.05 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.168 -0.958 . . . . 0.0 110.061 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' B' ' 740' ' ' ASP . 52.9 mtt85 -78.45 -24.3 46.13 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.182 -0.949 . . . . 0.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.28 -44.66 16.72 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.057 -1.027 . . . . 0.0 109.703 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' B' ' 740' ' ' ASP . 0.0 OUTLIER -75.12 -62.63 1.49 Allowed 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.434 -0.791 . . . . 0.0 109.805 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -50.93 -21.07 1.54 Allowed 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.44 ' O ' ' OG1' ' B' ' 741' ' ' THR . 22.2 t70 -75.7 7.98 3.36 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.734 0.778 . . . . 0.0 109.137 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.5 HG22 ' H ' ' B' ' 742' ' ' ALA . 1.6 m -169.81 -141.34 0.03 OUTLIER 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.512 ' C ' ' H ' ' B' ' 744' ' ' ASN . . . 54.6 -133.49 1.7 Allowed 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -67.49 37.71 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.33 -0.856 . . . . 0.0 109.867 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' B' ' 742' ' ' ALA . 12.4 t-20 -137.43 66.02 50.17 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.008 . . . . 0.0 110.124 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -93.3 22.57 0.56 Allowed 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 123.039 2.493 . . . . 0.0 112.407 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.711 HD12 ' H ' ' B' ' 747' ' ' TYR . 0.2 OUTLIER -52.04 -22.74 4.33 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.442 -0.787 . . . . 0.0 109.353 -179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.711 ' H ' HD12 ' B' ' 746' ' ' LEU . 2.2 t80 -80.45 -69.83 0.57 Allowed 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.665 0.745 . . . . 0.0 108.998 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -44.2 -31.16 0.91 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.753 -0.592 . . . . 0.0 109.899 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.57 -55.34 11.97 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.277 -0.889 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.416 ' O ' ' OG1' ' B' ' 751' ' ' THR . . . 61.1 21.69 12.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.554 -0.716 . . . . 0.0 109.602 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' B' ' 750' ' ' ALA . 17.5 p 47.03 44.98 15.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.281 -0.887 . . . . 0.0 109.605 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.417 ' O ' ' OG ' ' B' ' 752' ' ' SER . 53.3 p -155.49 81.83 1.04 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.305 -0.872 . . . . 0.0 109.424 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 87.7 m -153.45 -47.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.269 -0.894 . . . . 0.0 109.377 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -59.57 161.5 5.92 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.406 -0.809 . . . . 0.0 109.839 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.781 ' O ' HG22 ' B' ' 755' ' ' THR . 8.0 m 44.74 53.99 6.95 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.126 0.965 . . . . 0.0 109.484 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.455 ' N ' HD12 ' B' ' 757' ' ' ILE . 25.9 t-20 -90.36 11.13 22.39 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.072 -1.018 . . . . 0.0 109.63 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 1.018 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.1 mp -88.81 89.39 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.266 -0.896 . . . . 0.0 109.388 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.477 HG22 ' O ' ' B' ' 758' ' ' THR . 27.8 m -162.19 6.15 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.183 -0.948 . . . . 0.0 109.388 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -86.34 30.87 0.67 Allowed 'General case' 0 C--N 1.296 -1.753 0 O-C-N 121.655 -0.653 . . . . 0.0 109.378 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' B' ' 762' ' ' THR . 32.6 mtp180 -111.72 85.81 2.21 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.628 -0.67 . . . . 0.0 109.254 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -74.51 27.96 1.04 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.477 ' H ' ' C ' ' B' ' 760' ' ' ARG . 9.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.201 -1.176 . . . . 0.0 109.453 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.993 0 N-CA-C 119.811 2.684 . . . . 0.0 119.811 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -162.92 48.57 0.15 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -1.157 . . . . 0.0 109.439 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 13.3 mmt 50.04 72.32 0.34 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.293 -0.88 . . . . 0.0 109.432 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 959' ' ' SER . . . -175.01 154.0 17.13 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 958' ' ' GLY . 1.2 t 169.86 172.42 0.05 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.342 -1.093 . . . . 0.0 109.202 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.404 ' N ' ' OG ' ' A' ' 959' ' ' SER . 28.4 mt-10 -137.81 4.69 2.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.295 -0.878 . . . . 0.0 109.222 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -122.94 -33.46 3.34 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 25.9 mmm-85 -50.75 176.75 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.357 -0.839 . . . . 0.0 109.646 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.09 32.13 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.417 -0.802 . . . . 0.0 108.973 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.0 mt 46.56 66.6 5.33 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 121.38 -0.825 . . . . 0.0 109.978 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -49.21 77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 123.074 2.516 . . . . 0.0 112.32 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 964' ' ' ILE . 2.1 mt -67.55 -26.04 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.183 -0.948 . . . . 0.0 109.543 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -49.91 -50.88 44.61 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 122.94 1.352 . . . . 0.0 107.368 178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.58 ' HE1' HD23 ' B' ' 697' ' ' LEU . 0.8 OUTLIER -53.0 -58.24 7.66 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.098 -1.41 . . . . 0.0 108.303 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 973' ' ' VAL . 37.9 t -60.99 -40.53 85.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.3 tt -59.01 -49.21 78.75 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 122.198 0.999 . . . . 0.0 108.871 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.56 -35.36 49.85 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.78 -46.57 10.91 Favored Glycine 0 C--N 1.29 -1.983 0 N-CA-C 108.208 -1.957 . . . . 0.0 108.208 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 969' ' ' VAL . 77.4 t -61.96 -31.98 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.546 -0.973 . . . . 0.0 108.608 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.667 ' O ' HD23 ' A' ' 974' ' ' LEU . 4.1 tt -66.97 -41.29 87.09 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.39 -21.23 77.37 Favored Glycine 0 N--CA 1.481 1.673 0 C-N-CA 119.47 -1.348 . . . . 0.0 109.849 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -71.03 -22.56 78.48 Favored Glycine 0 C--N 1.288 -2.107 0 N-CA-C 107.099 -2.4 . . . . 0.0 107.099 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 977' ' ' LEU . 0.3 OUTLIER -74.93 -41.35 59.82 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 177.026 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.691 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.3 tm? -63.56 -41.02 98.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.73 -48.84 58.0 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 120.643 -1.285 . . . . 0.0 108.723 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' B' ' 711' ' ' ALA . 2.1 tm? -59.91 -35.96 75.97 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 977' ' ' LEU . 54.3 m -58.81 -42.21 88.63 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.768 -1.208 . . . . 0.0 109.711 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 57.1 mt -73.6 -30.35 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 3.3 tp -76.7 -45.66 28.59 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' B' ' 715' ' ' TRP . 0.9 OUTLIER -58.06 -38.93 70.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 178.714 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.07 -40.89 59.88 Favored 'General case' 0 C--N 1.289 -2.051 0 C-N-CA 119.544 -0.863 . . . . 0.0 109.747 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.01 82.77 Favored 'General case' 0 C--N 1.28 -2.422 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.971 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 4.4 ptm -75.17 -33.82 61.51 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 117.81 -1.556 . . . . 0.0 107.681 178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.857 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.83 -35.98 82.86 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.1 tptt -67.27 -41.76 84.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 121.958 0.885 . . . . 0.0 108.633 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 990' ' ' VAL . 6.7 t -55.86 -2.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.053 0 O-C-N 121.53 -0.732 . . . . 0.0 109.22 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.08 -27.13 0.17 Allowed Glycine 0 N--CA 1.5 2.917 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 988' ' ' TRP . 52.8 t80 -86.13 -14.19 44.9 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.513 -0.993 . . . . 0.0 109.681 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.48 -14.44 23.7 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-O 122.518 1.152 . . . . 0.0 107.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -56.05 -40.81 74.07 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -85.96 -135.59 0.07 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.708 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 996' ' ' ASN . 13.4 t30 46.4 25.58 0.4 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 122.139 0.971 . . . . 0.0 109.271 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.468 ' C ' ' CD ' ' A' ' 999' ' ' PRO . 5.3 mmt85 -107.32 95.74 14.18 Favored Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.703 -0.623 . . . . 0.0 111.485 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.473 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 32.7 Cg_endo -90.82 15.92 1.71 Allowed 'Trans proline' 0 CA--C 1.565 2.031 0 C-N-CA 121.992 1.795 . . . . 0.0 115.741 176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1001 ' ' GLU . 54.9 Cg_endo -84.86 -152.44 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.358 0 CA-C-N 122.197 1.82 . . . . 0.0 110.981 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 11.1 tp -68.68 56.33 0.09 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.877 -1.14 . . . . 0.0 109.118 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 999' ' ' PRO . 22.7 tt0 -131.8 -69.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.476 -0.765 . . . . 0.0 109.485 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.88 37.93 0.07 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' 1001 ' ' GLU . 37.6 t70 -100.63 63.02 1.06 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.33 -0.856 . . . . 0.0 109.364 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' 1006 ' ' GLU . 10.1 t0 -159.29 137.46 10.47 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.206 -0.934 . . . . 0.0 109.563 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' 1005 ' ' GLU . 10.8 mp0 -78.88 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.315 -0.866 . . . . 0.0 109.378 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.419 ' O ' ' OD1' ' A' 1004 ' ' ASP . 44.9 mt-10 -69.95 -176.32 1.09 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.271 -0.893 . . . . 0.0 109.439 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.54 48.14 3.78 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.273 -1.133 . . . . 0.0 109.529 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.988 0 N-CA-C 119.803 2.681 . . . . 0.0 119.803 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.09 73.57 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.212 -1.169 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.6 ttt -63.12 133.5 54.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.198 -0.939 . . . . 0.0 109.495 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 179.34 165.54 33.69 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 10.3 m -74.05 108.2 6.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.294 -1.121 . . . . 0.0 109.439 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -77.57 -4.64 46.79 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.42 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -76.88 0.33 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.37 -103.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.532 0 C-N-CA 122.647 2.232 . . . . 0.0 111.717 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' B' ' 694' ' ' LEU . 18.7 t0 -163.55 -26.79 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.466 -0.771 . . . . 0.0 109.995 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.544 HG22 ' O ' ' B' ' 692' ' ' ASP . 17.9 tt 48.66 -6.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.611 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.08 -53.38 7.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.547 -1.346 . . . . 0.0 109.155 179.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.68 -53.43 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.457 -0.777 . . . . 0.0 110.734 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.578 HG23 ' N ' ' B' ' 697' ' ' LEU . 17.0 m -56.3 -46.85 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.95 -1.094 . . . . 0.0 110.128 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.58 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.2 OUTLIER -56.83 -42.79 80.25 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.069 -1.019 . . . . 0.0 109.444 -179.733 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.496 HD23 ' O ' ' B' ' 698' ' ' LEU . 1.8 tt -53.45 -44.44 68.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 109.02 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 38.0 t -66.2 -44.76 82.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 109.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 76.4 t -53.52 -44.76 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 O-C-N 121.358 -0.839 . . . . 0.0 110.043 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.511 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -64.15 -43.55 94.88 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.009 -1.057 . . . . 0.0 109.477 -179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -56.96 -35.46 68.83 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.49 91.89 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -1.138 . . . . 0.0 109.323 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.76 -55.31 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.423 -1.423 . . . . 0.0 107.909 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.502 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.1 tt -58.31 -44.81 88.77 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.401 0.62 . . . . 0.0 110.22 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.49 -44.32 58.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.301 -0.874 . . . . 0.0 110.845 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 55.2 mt -52.8 -38.88 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 110.33 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -83.24 -32.66 25.11 Favored Glycine 0 N--CA 1.482 1.721 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.126 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.9 -33.45 75.73 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.15 -47.87 40.25 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 119.564 -0.855 . . . . 0.0 108.897 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . 0.478 ' HB3' ' HG ' ' A' ' 980' ' ' LEU . . . -71.68 -30.25 65.49 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 708' ' ' GLY . 18.6 tp -53.51 -53.62 48.87 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.2 tp -54.89 -50.34 68.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.798 -0.564 . . . . 0.0 109.73 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 92.9 mt -53.66 -58.32 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.016 -1.053 . . . . 0.0 109.844 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.46 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 11.1 t-105 -57.73 -34.65 69.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.131 -0.98 . . . . 0.0 109.566 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.93 -42.3 68.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.273 -0.892 . . . . 0.0 109.383 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.51 -39.78 73.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.176 -0.952 . . . . 0.0 109.056 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.46 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 1.7 tt -55.15 -36.0 65.33 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.227 -0.921 . . . . 0.0 109.307 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.857 HD11 ' NE1' ' A' ' 988' ' ' TRP . 1.7 mm -76.37 -43.95 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 51.7 m -58.63 -24.89 62.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.676 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 54.0 mt -72.63 -47.33 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.107 -0.996 . . . . 0.0 109.42 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -52.09 -27.63 14.7 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.74 -1.225 . . . . 0.0 108.041 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -87.96 -26.12 22.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.707 -0.62 . . . . 0.0 110.47 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -46.64 -31.36 2.82 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.863 -1.148 . . . . 0.0 109.539 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -59.29 3.03 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.102 -0.999 . . . . 0.0 109.13 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 730' ' ' PHE . 7.7 tm-20 -63.07 -48.72 77.44 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -50.92 -40.01 56.0 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.76 -61.28 1.84 Allowed 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -23.79 2.02 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.425 -0.797 . . . . 0.0 109.204 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' B' ' 726' ' ' GLU . 56.0 t80 -70.07 -60.27 2.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.206 -0.934 . . . . 0.0 109.464 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.85 -25.83 68.34 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.283 -0.886 . . . . 0.0 109.487 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -65.89 -49.87 66.51 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.26 -0.9 . . . . 0.0 109.513 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -59.98 -42.97 95.32 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.361 -0.837 . . . . 0.0 109.656 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.02 -35.78 78.85 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.16 -0.963 . . . . 0.0 109.749 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -73.6 -37.83 65.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.205 -0.934 . . . . 0.0 109.657 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.05 -40.67 52.83 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.195 -0.941 . . . . 0.0 109.805 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -44.96 -36.67 3.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.319 -0.863 . . . . 0.0 109.912 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' B' ' 741' ' ' THR . 3.0 mmpt? -72.0 -66.21 0.67 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.304 -0.872 . . . . 0.0 109.921 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -51.09 -20.01 1.3 Allowed 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.558 ' O ' HG23 ' B' ' 741' ' ' THR . 45.0 t0 -66.25 -24.42 66.58 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.706 0.765 . . . . 0.0 109.43 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 740' ' ' ASP . 20.8 p -160.83 145.11 13.78 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.415 ' H ' ' H ' ' B' ' 743' ' ' ASN . . . -176.91 -13.65 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.017 0.913 . . . . 0.0 108.965 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.533 ' O ' ' C ' ' B' ' 744' ' ' ASN . 0.5 OUTLIER -173.31 16.74 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.533 ' C ' ' O ' ' B' ' 743' ' ' ASN . 16.7 t-20 -2.45 76.52 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.595 0 C-N-CA 123.324 0.65 . . . . 0.0 112.357 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.11 11.16 3.42 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.576 2.184 . . . . 0.0 113.294 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.488 HD23 ' H ' ' B' ' 746' ' ' LEU . 0.2 OUTLIER -86.9 -35.39 18.99 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.058 -1.026 . . . . 0.0 108.969 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -89.19 -49.43 6.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' B' ' 747' ' ' TYR . 85.2 tttt -41.16 -36.38 0.73 Allowed 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 121.474 0.654 . . . . 0.0 109.66 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.8 mt-10 -78.29 -70.6 0.48 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 162.69 27.31 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 752' ' ' SER . 33.6 p 45.92 26.04 0.36 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.969 -1.082 . . . . 0.0 109.496 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' B' ' 751' ' ' THR . 1.1 t 164.17 109.16 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 66.5 m -152.46 -74.2 0.14 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.684 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.544 ' O ' ' N ' ' B' ' 756' ' ' ASN . 6.8 t80 -57.86 145.27 35.87 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.38 -0.825 . . . . 0.0 109.439 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.409 ' C ' ' O ' ' B' ' 754' ' ' PHE . 9.2 t 36.83 25.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.153 0.502 . . . . 0.0 110.839 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 754' ' ' PHE . 9.1 t-20 -143.66 38.0 1.34 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.191 -0.943 . . . . 0.0 109.802 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.851 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.5 mp -48.43 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.098 -1.001 . . . . 0.0 109.435 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.563 HG22 ' H ' ' B' ' 759' ' ' TYR . 1.1 m -74.26 -149.22 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.231 -0.918 . . . . 0.0 109.35 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.563 ' H ' HG22 ' B' ' 758' ' ' THR . 62.3 t80 -82.62 28.34 0.48 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.341 -0.849 . . . . 0.0 109.4 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -98.5 130.28 45.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.437 -0.79 . . . . 0.0 109.391 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -163.3 140.23 6.36 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.509 -1.437 . . . . 0.0 109.509 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.275 -1.132 . . . . 0.0 109.476 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.978 0 N-CA-C 119.722 2.649 . . . . 0.0 119.722 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -76.15 -67.02 0.72 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.322 -1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.616 ' N ' ' SD ' ' A' ' 957' ' ' MET . 0.4 OUTLIER -63.21 -2.56 1.42 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.245 -0.909 . . . . 0.0 109.61 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -72.84 -37.81 56.81 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 49.3 p -161.03 132.07 5.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -1.165 . . . . 0.0 109.537 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -87.0 9.08 20.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.26 -0.9 . . . . 0.0 109.39 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.56 ' C ' ' H ' ' A' ' 963' ' ' ALA . 50.8 mt-10 -83.56 -77.07 0.26 Allowed 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.756 -0.59 . . . . 0.0 109.729 -179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.616 ' O ' ' HB3' ' A' ' 963' ' ' ALA . 53.4 ttp85 62.12 -10.37 0.08 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.414 -0.804 . . . . 0.0 110.47 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 962' ' ' ARG . . . 73.69 -31.87 0.23 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.187 -0.945 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.505 ' H ' ' C ' ' A' ' 962' ' ' ARG . 11.7 mt 47.66 65.43 7.02 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.85 . . . . 0.0 109.389 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -88.24 77.94 1.46 Allowed 'Trans proline' 0 C--N 1.302 -1.903 0 C-N-CA 123.206 2.604 . . . . 0.0 112.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.2 mt -52.39 -23.04 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.876 . . . . 0.0 109.464 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -52.63 -52.63 54.65 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -55.88 -50.89 69.41 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.614 -1.176 . . . . 0.0 108.182 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 16.8 t -60.1 -43.58 93.18 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -58.0 -49.8 75.59 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.925 0.869 . . . . 0.0 108.998 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.91 -32.97 48.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.938 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.38 -41.66 25.0 Favored Glycine 0 C--N 1.291 -1.955 0 N-CA-C 107.924 -2.071 . . . . 0.0 107.924 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.03 -26.07 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.683 -0.893 . . . . 0.0 109.131 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 970' ' ' LEU . 3.9 tp -69.49 -38.92 77.85 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -18.83 77.27 Favored Glycine 0 N--CA 1.482 1.729 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -69.57 -25.21 75.74 Favored Glycine 0 C--N 1.289 -2.045 0 N-CA-C 106.534 -2.626 . . . . 0.0 106.534 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.46 -40.51 64.1 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 978' ' ' LEU . 1.2 tm? -61.0 -46.77 89.44 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.477 HD11 HD13 ' A' ' 983' ' ' LEU . 21.2 tp -67.66 -44.12 78.6 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 120.968 -1.083 . . . . 0.0 108.719 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 984' ' ' VAL . 7.6 tt -51.28 -40.68 59.46 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.39 -0.819 . . . . 0.0 109.355 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 22.4 p -71.31 -41.91 69.3 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.156 -0.965 . . . . 0.0 111.673 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.8 mt -73.0 -31.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 121.044 -1.035 . . . . 0.0 109.739 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 979' ' ' LEU . 5.4 tp -76.06 -45.41 34.34 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.735 HG13 ' CD1' ' B' ' 715' ' ' TRP . 54.1 t -63.03 -38.31 81.68 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.085 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.77 -42.57 40.36 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.797 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.88 76.4 Favored 'General case' 0 C--N 1.28 -2.446 0 C-N-CA 118.931 -1.107 . . . . 0.0 110.11 -177.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 1.6 ptm -75.25 -35.55 61.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.612 178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.2 -38.11 89.87 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 177.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.4 tptt -67.3 -41.09 85.94 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.824 0.821 . . . . 0.0 109.03 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 990' ' ' VAL . 11.7 t -56.6 -2.36 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.379 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -142.99 -28.88 0.13 Allowed Glycine 0 N--CA 1.5 2.912 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 988' ' ' TRP . 56.2 t80 -81.29 -18.26 46.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.594 -0.945 . . . . 0.0 109.721 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.31 -10.21 36.24 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 122.509 1.147 . . . . 0.0 108.016 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.84 -40.52 40.08 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 114.946 -1.025 . . . . 0.0 108.514 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.648 ' C ' ' H ' ' A' ' 997' ' ' ARG . 12.9 mtp-105 -92.75 -43.06 9.24 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.82 0.819 . . . . 0.0 110.782 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' A' ' 997' ' ' ARG . 35.4 t30 -67.03 18.57 0.02 OUTLIER 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -24.83 92.76 0.05 OUTLIER Pre-proline 0 N--CA 1.498 1.93 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.465 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 85.1 Cg_endo -75.05 -6.01 17.49 Favored 'Trans proline' 0 CA--C 1.566 2.079 0 N-CA-C 116.452 1.674 . . . . 0.0 116.452 177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 23.6 Cg_endo -93.53 -160.87 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 CA-C-N 122.598 1.964 . . . . 0.0 111.8 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.9 81.44 3.43 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.231 -0.918 . . . . 0.0 108.626 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -45.5 155.92 0.14 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.216 -0.928 . . . . 0.0 110.054 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' 1003 ' ' ASP . 74.2 mt-10 -82.66 56.81 3.49 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.303 -0.873 . . . . 0.0 109.319 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' 1002 ' ' GLU . 17.2 t0 59.17 152.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.392 -0.818 . . . . 0.0 110.027 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' 1003 ' ' ASP . 7.9 p-10 -73.89 -141.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.27 -0.893 . . . . 0.0 109.644 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' 1006 ' ' GLU . 19.1 tt0 53.3 -122.65 2.06 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.57 -0.706 . . . . 0.0 109.729 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' 1005 ' ' GLU . 29.7 mt-10 33.4 49.5 0.22 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.522 0.677 . . . . 0.0 110.729 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 161.32 -93.98 0.12 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.241 -1.152 . . . . 0.0 109.481 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' B' ' 685' ' ' ALA . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.69 2.636 . . . . 0.0 119.69 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 684' ' ' GLY . . . 57.55 108.89 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.342 -1.093 . . . . 0.0 109.529 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 24.1 mtt 52.93 -142.12 0.81 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -168.85 -155.55 9.79 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 59.5 p -67.47 173.83 3.82 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.25 -1.147 . . . . 0.0 109.522 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -80.44 -7.8 59.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.894 . . . . 0.0 109.181 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -171.1 -56.08 0.04 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.468 ' O ' ' O ' ' B' ' 690' ' ' GLY . 76.8 Cg_exo -51.62 -127.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 123.158 2.572 . . . . 0.0 112.547 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' B' ' 694' ' ' LEU . 43.0 t0 -156.51 -35.1 0.08 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.019 -1.051 . . . . 0.0 109.448 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 693' ' ' ILE . 0.2 OUTLIER 62.29 -12.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.701 -0.625 . . . . 0.0 110.015 179.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.74 -54.62 6.66 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.851 -1.156 . . . . 0.0 110.494 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 57.1 t -60.39 -54.04 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.086 -1.009 . . . . 0.0 111.021 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.422 HG23 ' N ' ' B' ' 697' ' ' LEU . 26.7 m -55.84 -37.89 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.002 -1.062 . . . . 0.0 109.88 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.497 ' O ' ' SD ' ' B' ' 701' ' ' MET . 63.3 tp -57.55 -56.39 22.45 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.14 -31.69 32.26 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.192 -0.943 . . . . 0.0 109.737 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 5.0 m -63.74 -52.18 61.62 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.163 -0.961 . . . . 0.0 109.912 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.429 HG23 ' H ' ' B' ' 700' ' ' VAL . 0.1 OUTLIER -63.85 -31.63 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.124 -0.985 . . . . 0.0 108.985 -179.782 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -57.42 -44.68 84.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.065 -1.022 . . . . 0.0 108.346 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.29 -44.1 98.52 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.69 82.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.389 -1.065 . . . . 0.0 108.758 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 19.3 mt -53.09 -53.32 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.501 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -61.26 -44.69 96.83 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.285 0.564 . . . . 0.0 109.818 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.13 -43.79 70.26 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.219 -0.926 . . . . 0.0 110.089 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.58 -35.6 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.111 -0.993 . . . . 0.0 109.394 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.78 -34.21 22.49 Favored Glycine 0 N--CA 1.488 2.154 0 N-CA-C 108.949 -1.66 . . . . 0.0 108.949 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.38 -31.65 71.17 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.94 -47.88 49.25 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.48 71.27 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 51.4 tp -53.34 -54.53 35.14 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.23 -56.29 22.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.742 -0.599 . . . . 0.0 110.839 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.459 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -55.91 -40.2 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 120.904 -1.123 . . . . 0.0 109.512 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.735 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.8 t-105 -77.3 -34.16 55.51 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.016 -1.052 . . . . 0.0 110.277 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -33.67 76.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.757 -1.215 . . . . 0.0 108.684 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 8.7 mp -74.53 -37.84 62.94 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 718' ' ' LEU . 1.5 tt -60.59 -41.59 95.03 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.156 -0.965 . . . . 0.0 108.969 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.837 HD11 ' NE1' ' A' ' 988' ' ' TRP . 2.7 mm -66.39 -34.63 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.8 m -75.89 -25.19 55.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.224 -0.923 . . . . 0.0 109.173 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 26.8 mt -71.09 -44.31 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.107 -0.995 . . . . 0.0 109.093 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -51.35 -26.23 7.32 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 120.861 -1.149 . . . . 0.0 108.308 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -87.56 -33.83 18.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.621 -0.674 . . . . 0.0 110.28 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -46.55 -34.86 5.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.918 -1.114 . . . . 0.0 109.293 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -58.66 4.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.279 -0.888 . . . . 0.0 108.754 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 730' ' ' PHE . 57.8 tt0 -61.58 -49.08 78.07 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -50.5 -41.24 53.18 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.12 -60.57 2.16 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.82 -23.57 1.94 Allowed 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.398 -0.814 . . . . 0.0 109.21 179.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' B' ' 726' ' ' GLU . 35.2 t80 -68.92 -61.23 1.89 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.176 -0.953 . . . . 0.0 109.303 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.2 -25.05 66.74 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.712 -0.618 . . . . 0.0 109.627 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -72.0 -42.89 65.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 109.277 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -61.55 -40.49 94.9 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.358 -0.839 . . . . 0.0 109.061 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.79 -31.39 72.33 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.323 -0.86 . . . . 0.0 109.461 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -77.89 -44.75 26.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.356 -0.84 . . . . 0.0 109.871 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 19.2 mtp-105 -74.86 -46.02 39.1 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -49.13 -47.04 45.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.243 -0.911 . . . . 0.0 109.495 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.4 mmmt -63.24 -63.52 1.17 Allowed 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.476 -0.765 . . . . 0.0 110.011 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -51.55 -20.94 2.17 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.473 ' O ' HG23 ' B' ' 741' ' ' THR . 20.4 t70 -91.18 12.01 21.46 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.597 0.713 . . . . 0.0 109.34 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.473 HG23 ' O ' ' B' ' 740' ' ' ASP . 37.6 p -157.9 -127.93 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 56.24 -135.61 1.23 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -77.56 40.27 0.29 Allowed 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.453 -0.779 . . . . 0.0 109.95 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' B' ' 744' ' ' ASN . 22.9 p-10 -46.79 111.48 1.57 Allowed Pre-proline 0 C--N 1.314 -0.978 0 O-C-N 120.866 -1.146 . . . . 0.0 109.607 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -82.71 15.08 2.13 Favored 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.074 1.849 . . . . 0.0 112.235 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 6.9 mt -79.43 -45.95 18.46 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.629 -0.67 . . . . 0.0 109.384 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' B' ' 749' ' ' GLU . 0.2 OUTLIER -93.86 -40.37 10.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.845 . . . . 0.0 108.75 -179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' B' ' 747' ' ' TYR . 71.3 tttt -38.78 -28.82 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.386 0.613 . . . . 0.0 109.841 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.7 tt0 -70.06 -75.37 0.12 Allowed 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 164.93 -70.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' B' ' 752' ' ' SER . 3.2 t -174.54 51.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.375 -0.828 . . . . 0.0 109.303 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' B' ' 751' ' ' THR . 0.6 OUTLIER 76.45 103.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.466 -0.772 . . . . 0.0 109.508 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.495 ' C ' ' H ' ' B' ' 755' ' ' THR . 57.0 m -77.42 -23.84 50.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 109.52 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 81.0 t80 -68.13 7.92 0.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.798 . . . . 0.0 109.737 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.495 ' H ' ' C ' ' B' ' 753' ' ' THR . 3.3 m -134.62 15.32 3.68 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.426 ' C ' HD22 ' B' ' 756' ' ' ASN . 0.2 OUTLIER -131.63 51.13 2.17 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.452 -0.78 . . . . 0.0 109.297 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.988 ' H ' HD12 ' B' ' 757' ' ' ILE . 2.1 mp -79.69 54.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.43 ' O ' ' O ' ' B' ' 757' ' ' ILE . 17.0 p 51.71 177.95 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.296 -0.878 . . . . 0.0 109.461 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -132.58 46.08 2.67 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.469 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -75.05 129.9 38.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.217 -0.927 . . . . 0.0 109.399 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -76.46 90.16 0.93 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.323 -1.104 . . . . 0.0 109.491 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.963 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -159.3 107.83 1.83 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -1.146 . . . . 0.0 109.4 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 34.9 mtt -78.26 -21.05 50.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.256 -0.903 . . . . 0.0 109.536 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 162.34 -167.11 36.78 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 6.2 m -162.29 -175.18 4.41 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.189 -1.183 . . . . 0.0 109.502 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 960' ' ' GLU . 0.7 OUTLIER -77.09 6.37 6.56 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.324 -179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -85.31 25.45 1.01 Allowed 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 59.6 ttm-85 -49.24 141.07 8.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.246 -0.908 . . . . 0.0 109.532 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -167.03 -46.47 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.1 mt 48.09 68.45 3.51 Favored Pre-proline 0 N--CA 1.488 1.454 0 O-C-N 121.214 -0.929 . . . . 0.0 109.899 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -50.99 105.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 123.102 2.535 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 4.5 mm -52.84 -23.16 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.258 -0.901 . . . . 0.0 109.763 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -55.18 -51.2 67.29 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.88 -1.526 . . . . 0.0 106.88 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.65 -54.69 38.37 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.285 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.34 -42.03 86.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 974' ' ' LEU . 5.1 tt -56.86 -50.53 72.16 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.947 0.88 . . . . 0.0 108.872 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 41.3 t -58.53 -32.73 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.972 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -73.98 -45.36 26.87 Favored Glycine 0 C--N 1.288 -2.117 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.37 -23.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 121.707 -0.878 . . . . 0.0 109.298 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.27 -40.98 81.73 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.97 78.88 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.741 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.11 -23.93 76.02 Favored Glycine 0 C--N 1.29 -2.023 0 N-CA-C 106.637 -2.585 . . . . 0.0 106.637 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.67 -41.97 59.32 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.3 tp -63.36 -43.14 98.52 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.477 HD13 HG22 ' B' ' 704' ' ' ILE . 5.4 tt -71.33 -45.4 63.08 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.26 -0.9 . . . . 0.0 108.591 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.681 HD23 ' C ' ' A' ' 980' ' ' LEU . 6.6 tt -54.12 -40.18 67.12 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.719 -0.613 . . . . 0.0 109.532 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 5.5 m -70.02 -39.36 75.85 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 120.061 -0.656 . . . . 0.0 111.782 -177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 66.6 mt -72.47 -30.71 35.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 O-C-N 121.143 -0.973 . . . . 0.0 108.894 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.18 -46.99 25.82 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.47 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.0 OUTLIER -58.14 -39.44 73.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 178.352 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . 0.535 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -76.01 -41.39 51.19 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.76 0.791 . . . . 0.0 110.144 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.49 80.35 Favored 'General case' 0 C--N 1.28 -2.436 0 C-N-CA 118.483 -1.287 . . . . 0.0 109.536 -178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -74.65 -34.94 62.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.036 -1.466 . . . . 0.0 107.706 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.573 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -62.96 -37.32 86.63 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.1 tptt -71.41 -43.25 67.14 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-O 121.667 0.746 . . . . 0.0 109.56 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.39 -4.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 O-C-N 121.338 -0.851 . . . . 0.0 108.77 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -135.52 -28.61 0.4 Allowed Glycine 0 N--CA 1.5 2.955 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 988' ' ' TRP . 75.1 t80 -86.15 -17.48 34.84 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.283 -1.127 . . . . 0.0 110.073 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.38 -11.24 38.41 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 122.413 1.101 . . . . 0.0 108.345 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -80.84 -41.68 22.82 Favored 'General case' 0 C--N 1.285 -2.224 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.622 ' C ' ' H ' ' A' ' 997' ' ' ARG . 47.4 mtp180 -89.49 -15.32 33.31 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.776 0.798 . . . . 0.0 111.466 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.448 ' O ' ' CD ' ' A' ' 998' ' ' PRO . 60.1 t30 -56.44 3.25 0.02 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 O-C-N 121.753 -0.592 . . . . 0.0 110.046 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.622 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.4 OUTLIER -29.49 89.97 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.761 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.47 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 1.2 Cg_endo -86.56 10.45 3.62 Favored 'Trans proline' 0 CA--C 1.568 2.18 0 C-N-CA 121.862 1.708 . . . . 0.0 115.393 176.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 19.4 Cg_endo -92.9 -152.84 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.259 0 CA-C-N 122.477 1.92 . . . . 0.0 110.994 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.08 67.6 5.94 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.964 -1.085 . . . . 0.0 108.254 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' 1003 ' ' ASP . 60.6 mt-10 -143.81 0.04 1.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.122 -0.986 . . . . 0.0 109.454 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.08 17.59 0.44 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.028 -1.045 . . . . 0.0 109.187 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' 1001 ' ' GLU . 1.4 t70 -158.37 145.79 18.0 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 38.9 t70 -157.68 70.76 0.59 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.132 -0.98 . . . . 0.0 109.405 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.46 152.85 20.67 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.338 -0.851 . . . . 0.0 109.812 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' 1007 ' ' GLY . 41.1 mt-10 -79.75 -71.93 0.43 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.695 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' 1006 ' ' GLU . . . -58.84 -156.6 0.02 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 67.8 tt0 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.394 -1.062 . . . . 0.0 109.386 179.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.731 2.652 . . . . 0.0 119.731 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -82.51 107.12 14.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -1.165 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -81.41 57.22 3.18 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.417 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 80.52 -174.47 54.92 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 9.1 t -159.82 179.34 8.9 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -1.153 . . . . 0.0 109.488 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -124.63 -19.28 5.41 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.618 -0.676 . . . . 0.0 109.206 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.93 -69.98 1.27 Allowed Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.865 -1.294 . . . . 0.0 109.865 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -69.81 -154.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.814 2.343 . . . . 0.0 112.281 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' B' ' 694' ' ' LEU . 0.6 OUTLIER -88.79 -87.69 0.16 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 122.132 0.968 . . . . 0.0 109.416 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.517 ' H ' ' CG ' ' B' ' 692' ' ' ASP . 0.9 OUTLIER 66.33 -43.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -75.22 -50.84 14.91 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.119 -0.988 . . . . 0.0 108.955 179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.81 -53.72 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.89 . . . . 0.0 110.224 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 4.3 m -56.7 -40.24 68.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.071 -1.018 . . . . 0.0 109.456 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 59.7 tp -53.45 -47.73 69.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.03 -1.044 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.499 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.2 OUTLIER -55.41 -47.0 76.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.303 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 30.7 p -62.75 -52.47 63.11 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.161 -0.962 . . . . 0.0 110.179 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 15.1 t -61.76 -31.51 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.056 -1.028 . . . . 0.0 109.18 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 10.2 mmt -63.4 -40.76 98.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.03 -1.044 . . . . 0.0 108.237 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -61.07 -35.27 90.52 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 107.984 -2.047 . . . . 0.0 107.984 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.48 94.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.513 -0.992 . . . . 0.0 108.746 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.741 HG23 ' HA2' ' A' ' 976' ' ' GLY . 73.5 mt -53.41 -54.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.528 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -59.1 -42.72 91.17 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.68 -0.637 . . . . 0.0 110.003 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.6 mp -73.7 -42.18 61.58 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.122 -0.986 . . . . 0.0 110.318 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.6 -31.11 33.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 O-C-N 121.07 -1.019 . . . . 0.0 109.563 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -80.18 -40.67 13.25 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.874 -1.69 . . . . 0.0 108.874 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.0 OUTLIER -65.12 -33.02 75.04 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.519 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -71.11 -41.56 70.39 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -77.91 -32.37 51.68 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 13.0 tp -55.64 -42.64 75.28 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.489 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.2 tt -67.44 -54.46 20.15 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.501 -0.75 . . . . 0.0 110.678 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 6.5 tp -60.64 -33.78 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.786 -1.196 . . . . 0.0 110.214 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.47 ' NE1' HG13 ' A' ' 984' ' ' VAL . 10.1 t-105 -74.36 -23.52 59.03 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.961 -1.087 . . . . 0.0 109.535 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -69.29 -47.04 65.71 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 108.437 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.458 HD12 ' N ' ' B' ' 717' ' ' LEU . 10.3 mp -61.69 -40.75 96.08 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.48 -39.31 93.05 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.32 -0.863 . . . . 0.0 109.301 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 0.3 OUTLIER -75.82 -32.4 23.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 45.9 m -76.12 -44.8 36.87 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 108.728 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 46.5 mt -57.32 -34.18 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.694 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -57.96 -34.11 69.58 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.943 -1.098 . . . . 0.0 108.29 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -87.44 -33.51 19.03 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.469 -0.77 . . . . 0.0 110.617 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -44.03 -34.45 1.75 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.083 -1.011 . . . . 0.0 109.91 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -59.17 3.81 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.092 -1.005 . . . . 0.0 109.04 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 2.6 tm-20 -63.55 -47.76 80.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.1 -39.72 43.49 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -75.03 -59.17 2.86 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.93 -25.37 3.2 Favored 'General case' 0 C--N 1.308 -1.228 0 O-C-N 121.27 -0.894 . . . . 0.0 109.223 179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.3 t80 -70.26 -61.0 1.94 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.24 -24.21 67.27 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -64.52 -44.06 92.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.322 -0.861 . . . . 0.0 109.175 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.98 -43.53 78.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.345 -0.847 . . . . 0.0 109.443 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -62.66 -39.3 93.48 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.276 -0.89 . . . . 0.0 109.674 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -59.4 -53.88 53.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.243 -0.911 . . . . 0.0 109.752 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 -57.3 -44.87 84.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.213 -0.929 . . . . 0.0 109.858 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -46.99 -39.49 12.61 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.083 -1.011 . . . . 0.0 109.728 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.2 mmmt -66.11 -65.52 0.67 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.926 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.408 ' C ' ' H ' ' B' ' 741' ' ' THR . 24.6 t-105 -51.27 -21.0 1.86 Allowed 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' B' ' 738' ' ' LYS . 24.4 t70 -79.22 17.01 0.85 Allowed 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.609 0.718 . . . . 0.0 109.239 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.464 ' C ' ' H ' ' B' ' 743' ' ' ASN . 35.8 p -155.1 173.74 16.17 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 50.83 13.25 0.13 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 108.965 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' B' ' 741' ' ' THR . 7.6 m-80 -159.95 22.64 0.17 Allowed 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.525 HD21 HD21 ' B' ' 746' ' ' LEU . 9.1 t30 -136.26 68.35 62.03 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.572 -0.705 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -90.42 21.37 0.87 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.073 2.515 . . . . 0.0 112.407 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.525 HD21 HD21 ' B' ' 744' ' ' ASN . 2.1 pp -67.34 -37.17 82.83 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.375 -0.828 . . . . 0.0 109.214 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.422 ' N ' HD12 ' B' ' 746' ' ' LEU . 2.1 t80 -56.25 -62.54 1.64 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -45.27 -40.22 7.31 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.322 0.582 . . . . 0.0 109.494 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.95 -36.26 74.5 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.366 -0.834 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 747' ' ' TYR . . . 59.22 36.97 23.95 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.351 -0.843 . . . . 0.0 109.357 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 752' ' ' SER . 3.9 p 50.19 29.34 3.6 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.276 -0.89 . . . . 0.0 109.374 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.602 ' O ' HG22 ' B' ' 755' ' ' THR . 15.7 p 56.21 107.15 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 109.544 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.508 ' C ' ' H ' ' B' ' 755' ' ' THR . 35.5 m -87.01 -23.28 25.06 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.515 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 67.9 t80 -65.98 6.52 0.37 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.372 -0.83 . . . . 0.0 110.074 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.602 HG22 ' O ' ' B' ' 752' ' ' SER . 8.6 t -107.07 29.75 6.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.645 -0.659 . . . . 0.0 109.508 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -135.93 37.43 2.81 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.397 -0.815 . . . . 0.0 109.231 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 57.3 mt -91.76 96.94 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.406 -0.809 . . . . 0.0 109.553 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 71.7 p -55.85 130.91 45.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.3 -0.875 . . . . 0.0 109.461 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' B' ' 760' ' ' ARG . 91.9 t80 -73.81 121.61 21.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.267 -0.896 . . . . 0.0 109.439 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.414 ' O ' ' CD2' ' B' ' 759' ' ' TYR . 74.2 mtt180 -78.99 -165.43 0.75 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.454 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.25 19.98 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.284 -1.127 . . . . 0.0 109.496 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.771 2.668 . . . . 0.0 119.771 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.37 87.15 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -1.122 . . . . 0.0 109.494 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 7.7 ttt -51.53 -54.16 30.24 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.892 . . . . 0.0 109.436 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -179.36 -150.45 9.02 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 5.5 m -160.92 -179.09 7.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.238 -1.154 . . . . 0.0 109.413 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.02 4.19 7.1 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.218 -0.926 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 963' ' ' ALA . 46.7 mt-10 -101.65 10.83 39.79 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -63.24 78.33 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.266 -0.896 . . . . 0.0 109.817 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -86.02 4.03 39.72 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.219 -0.926 . . . . 0.0 108.892 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.6 mt 46.76 66.48 5.53 Favored Pre-proline 0 N--CA 1.488 1.437 0 O-C-N 121.473 -0.767 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 964' ' ' ILE . 51.2 Cg_exo -55.21 72.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.812 2.342 . . . . 0.0 112.155 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.833 HD12 ' H ' ' A' ' 966' ' ' ILE . 0.7 OUTLIER -43.31 -28.02 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.102 -0.999 . . . . 0.0 110.709 -179.7 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -50.84 59.34 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.24 -50.94 66.01 Favored 'General case' 0 C--N 1.283 -2.303 0 CA-C-N 114.647 -1.16 . . . . 0.0 108.168 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.76 -43.52 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 970' ' ' LEU . 1.9 tt -60.05 -51.7 68.5 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.963 0.887 . . . . 0.0 109.378 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.28 -34.97 51.47 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -76.56 -44.6 15.7 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 56.1 t -65.38 -29.28 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.662 -0.905 . . . . 0.0 108.599 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.648 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.6 tt -68.77 -40.81 79.54 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -70.5 -17.99 75.06 Favored Glycine 0 C--N 1.298 -1.566 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.438 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -68.87 -26.23 74.75 Favored Glycine 0 C--N 1.288 -2.124 0 N-CA-C 107.191 -2.364 . . . . 0.0 107.191 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 977' ' ' LEU . 10.8 mp -75.37 -38.66 59.91 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 978' ' ' LEU . 2.8 tm? -62.44 -47.21 85.07 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -41.1 95.74 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 121.139 -0.976 . . . . 0.0 109.022 178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.79 -40.07 59.76 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.425 -0.797 . . . . 0.0 109.768 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.6 m -73.72 -38.84 64.68 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.474 -0.766 . . . . 0.0 111.742 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.4 mt -72.62 -30.99 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.085 -1.01 . . . . 0.0 109.07 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.74 -48.23 33.36 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.413 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.3 t -56.87 -41.54 76.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.966 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 4.9 tp -75.75 -44.71 40.34 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.36 -0.936 . . . . 0.0 110.263 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 990' ' ' VAL . . . -59.08 -35.66 73.77 Favored 'General case' 0 C--N 1.278 -2.541 0 C-N-CA 118.716 -1.194 . . . . 0.0 109.988 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.534 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -74.37 -35.79 63.54 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 117.808 -1.557 . . . . 0.0 107.931 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.747 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -64.44 -38.3 90.53 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 178.24 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.0 mptt -75.66 -33.91 60.46 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.368 0.604 . . . . 0.0 110.232 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 986' ' ' ALA . 2.8 t -56.24 -3.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.007 0 O-C-N 121.374 -0.829 . . . . 0.0 109.439 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.83 -29.38 0.08 OUTLIER Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -76.88 -17.61 58.85 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.576 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.58 -21.75 15.18 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.235 1.016 . . . . 0.0 109.026 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -84.77 -42.56 15.07 Favored 'General case' 0 C--N 1.284 -2.25 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 997' ' ' ARG . 11.7 mtp-105 -82.92 -117.99 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 121.838 0.828 . . . . 0.0 110.496 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 997' ' ' ARG . 3.3 t30 50.85 4.09 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.804 -0.56 . . . . 0.0 110.637 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.582 ' H ' ' C ' ' A' ' 995' ' ' ARG . 4.0 mmt85 -33.71 97.9 0.12 Allowed Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 122.112 -0.367 . . . . 0.0 111.587 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.479 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 48.4 Cg_endo -86.04 8.71 4.37 Favored 'Trans proline' 0 CA--C 1.565 2.028 0 N-CA-C 116.685 1.763 . . . . 0.0 116.685 178.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 27.3 Cg_endo -90.9 176.85 2.22 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 CA-C-N 122.442 1.908 . . . . 0.0 111.86 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.572 ' H ' HD23 ' A' 1000 ' ' LEU . 0.1 OUTLIER -77.24 98.48 5.15 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.122 -0.986 . . . . 0.0 108.645 179.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.94 55.84 1.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.446 -0.784 . . . . 0.0 109.411 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -99.75 47.7 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 109.062 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -156.05 101.06 2.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.246 -0.909 . . . . 0.0 109.703 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' A' 1004 ' ' ASP . 12.6 t70 -161.52 21.41 0.12 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.274 -0.891 . . . . 0.0 109.242 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -103.11 -138.59 0.35 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -82.2 -111.24 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.337 -0.852 . . . . 0.0 109.197 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 155.79 -173.59 33.82 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.27 -1.135 . . . . 0.0 109.609 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.001 0 N-CA-C 119.782 2.673 . . . . 0.0 119.782 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . 51.48 85.47 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.32 -1.106 . . . . 0.0 109.519 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 12.9 ptt? -169.93 -17.09 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.192 -0.943 . . . . 0.0 109.531 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.43 53.3 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.44 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 14.6 t -160.14 -178.11 6.75 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -1.177 . . . . 0.0 109.578 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.44 ' N ' ' OG ' ' B' ' 688' ' ' SER . 66.9 mmtt -83.76 -2.69 56.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -79.85 -87.38 0.55 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -80.07 -108.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.364 2.043 . . . . 0.0 111.846 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' B' ' 694' ' ' LEU . 4.1 t70 -172.8 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.346 -0.846 . . . . 0.0 109.252 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.1 mm 58.69 -26.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.952 -0.468 . . . . 0.0 110.868 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.574 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -73.04 -50.36 23.46 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.612 -1.305 . . . . 0.0 110.118 -179.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 50.6 t -53.95 -53.82 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 120.974 -1.079 . . . . 0.0 109.698 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 11.0 m -59.88 -39.18 79.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.089 -1.007 . . . . 0.0 109.434 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 19.8 tp -53.25 -49.73 66.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.095 -1.003 . . . . 0.0 108.943 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 81.7 mt -52.68 -50.06 64.04 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.234 -0.916 . . . . 0.0 109.229 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 75.7 m -60.5 -51.36 69.78 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.173 -0.954 . . . . 0.0 109.15 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.9 -47.21 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.464 -0.772 . . . . 0.0 109.641 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.455 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -58.09 -40.81 82.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.074 -1.017 . . . . 0.0 109.108 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.98 -43.75 72.16 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 108.924 -1.67 . . . . 0.0 108.924 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.42 71.06 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.42 -1.047 . . . . 0.0 109.323 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.438 HG23 ' HA2' ' A' ' 976' ' ' GLY . 38.0 mt -52.73 -49.27 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.028 -1.045 . . . . 0.0 108.329 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.4 tt -64.84 -43.73 92.1 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.68 -0.638 . . . . 0.0 109.605 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.2 mp -68.21 -42.29 80.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.21 -0.931 . . . . 0.0 109.784 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 71.1 mt -59.98 -32.57 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.077 -1.015 . . . . 0.0 109.745 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.92 -36.6 15.0 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.1 tt -63.05 -33.2 74.94 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.65 -45.13 60.52 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 108.434 -0.951 . . . . 0.0 108.434 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.33 76.88 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.71 -54.58 40.04 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.18 -54.77 31.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.602 -0.686 . . . . 0.0 110.271 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 95.6 mt -55.52 -54.96 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.976 -1.077 . . . . 0.0 110.19 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.427 ' NE1' ' CD1' ' A' ' 988' ' ' TRP . 6.8 t-105 -59.75 -23.75 63.48 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 0.0 110.246 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.99 -45.74 73.24 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.816 -1.178 . . . . 0.0 108.559 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.58 -46.25 84.22 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.15 -37.51 85.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.933 . . . . 0.0 109.784 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.747 HD11 ' CD1' ' A' ' 988' ' ' TRP . 0.8 OUTLIER -66.12 -36.81 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.058 -1.026 . . . . 0.0 108.61 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 55.2 m -77.47 -23.78 50.32 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.027 . . . . 0.0 109.98 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 45.0 mt -73.94 -22.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.024 -1.048 . . . . 0.0 110.468 -178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -56.49 -37.75 70.81 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.821 -1.174 . . . . 0.0 108.898 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -87.71 -30.93 19.99 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.352 -0.842 . . . . 0.0 111.153 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -46.32 -33.57 3.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.815 -1.178 . . . . 0.0 110.29 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -59.17 4.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.901 -1.125 . . . . 0.0 109.602 -179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' B' ' 730' ' ' PHE . 44.2 tt0 -65.05 -46.24 82.08 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.02 -1.05 . . . . 0.0 108.402 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -50.58 -39.45 49.64 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.27 -60.27 2.35 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.93 -25.79 3.57 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.447 -0.783 . . . . 0.0 109.464 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' B' ' 726' ' ' GLU . 43.8 t80 -69.88 -60.33 2.37 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.152 -0.968 . . . . 0.0 109.296 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.12 -28.2 68.93 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.712 -0.617 . . . . 0.0 109.65 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -63.34 -47.26 82.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.124 -0.985 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.61 -47.46 86.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.362 -0.836 . . . . 0.0 109.387 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -56.59 -28.09 59.53 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.302 -0.874 . . . . 0.0 109.684 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -71.09 -61.26 1.83 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.143 -0.973 . . . . 0.0 109.85 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -72.74 -18.52 61.51 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.118 -0.989 . . . . 0.0 110.094 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -47.75 -38.23 15.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.028 -1.045 . . . . 0.0 108.653 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.27 -56.59 5.26 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.814 0.816 . . . . 0.0 109.011 179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -51.81 -21.91 3.24 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -82.04 21.2 0.91 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.432 0.634 . . . . 0.0 109.364 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.504 HG22 ' H ' ' B' ' 742' ' ' ALA . 1.7 m -154.47 -140.57 0.09 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.483 -0.761 . . . . 0.0 109.434 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.504 ' H ' HG22 ' B' ' 741' ' ' THR . . . 53.23 96.68 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' B' ' 742' ' ' ALA . 1.8 m120 31.2 43.69 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 120.933 0.397 . . . . 0.0 111.403 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 743' ' ' ASN . 45.0 t30 -40.87 103.95 0.32 Allowed Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.634 -0.666 . . . . 0.0 109.64 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -84.69 10.74 3.61 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.27 1.98 . . . . 0.0 113.782 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' B' ' 746' ' ' LEU . 2.3 pp -94.32 -32.28 13.69 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.132 -0.98 . . . . 0.0 108.552 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -48.34 71.05 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -41.91 -34.64 0.71 Allowed 'General case' 0 N--CA 1.495 1.784 0 CA-C-O 121.309 0.576 . . . . 0.0 109.981 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.41 -35.25 60.2 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.285 -0.884 . . . . 0.0 109.203 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' B' ' 752' ' ' SER . . . -70.58 -58.24 3.89 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.377 -0.827 . . . . 0.0 109.497 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 1.9 m -75.77 26.7 0.11 Allowed 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.286 -0.884 . . . . 0.0 109.436 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.48 ' H ' ' C ' ' B' ' 750' ' ' ALA . 19.4 m -48.87 113.41 0.78 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.423 -0.798 . . . . 0.0 109.522 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.47 ' C ' ' H ' ' B' ' 755' ' ' THR . 92.6 m -81.59 -24.77 36.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.322 -0.861 . . . . 0.0 109.554 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.484 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 73.0 t80 -68.09 6.52 0.72 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.375 -0.828 . . . . 0.0 109.627 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.47 ' H ' ' C ' ' B' ' 753' ' ' THR . 90.6 m -80.35 -20.12 44.9 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -137.56 58.26 1.71 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.83 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.8 mp -43.82 137.95 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.492 -0.755 . . . . 0.0 109.973 -179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . . . . . . . . . 2.1 p -146.82 132.91 19.27 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.228 -0.92 . . . . 0.0 109.01 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -76.64 78.39 3.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.412 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -56.7 114.94 2.27 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.626 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -82.75 80.46 1.81 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.359 -1.083 . . . . 0.0 109.419 179.915 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.98 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -50.84 -31.96 18.77 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -1.152 . . . . 0.0 109.441 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 48.5 mmm -63.89 85.96 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 62.82 178.27 3.95 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 961' ' ' GLU . 67.4 m -160.01 -171.63 3.3 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.319 -1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.32 3.81 1.57 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.165 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 959' ' ' SER . 45.8 mt-10 -111.27 11.87 21.71 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -46.25 128.57 9.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.352 -0.842 . . . . 0.0 109.71 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -137.05 -17.47 1.38 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.451 -0.781 . . . . 0.0 109.826 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 966' ' ' ILE . 11.6 mt 48.5 68.68 3.28 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 120.98 -1.075 . . . . 0.0 109.764 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.38 83.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.886 0 C-N-CA 123.08 2.52 . . . . 0.0 112.423 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.8 mm -52.55 -21.6 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.256 -0.902 . . . . 0.0 109.79 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -53.93 -52.85 59.28 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -56.68 -50.03 73.35 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 20.6 t -59.89 -43.24 91.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -57.55 -53.54 57.05 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.917 0.865 . . . . 0.0 109.228 179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.08 -41.11 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 CA-C-O 121.407 0.622 . . . . 0.0 109.363 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' B' ' 700' ' ' VAL . . . -65.54 -43.1 95.18 Favored Glycine 0 C--N 1.289 -2.061 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 75.8 t -73.59 -25.3 20.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 O-C-N 121.894 -0.768 . . . . 0.0 109.118 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 970' ' ' LEU . 2.9 tp -72.42 -40.34 67.22 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -71.45 -19.45 77.68 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 109.166 -1.573 . . . . 0.0 109.166 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.608 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -71.25 -23.28 78.24 Favored Glycine 0 C--N 1.289 -2.043 0 N-CA-C 107.469 -2.252 . . . . 0.0 107.469 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -77.85 -36.7 49.66 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.11 -40.69 82.52 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.82 -42.18 67.31 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 118.998 -1.081 . . . . 0.0 108.412 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.621 HD11 HG23 ' A' ' 984' ' ' VAL . 12.2 tp -54.36 -47.3 72.77 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 4.9 m -56.02 -46.05 78.91 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.463 -0.773 . . . . 0.0 111.569 -177.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.66 -32.0 53.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-O 122.024 0.916 . . . . 0.0 108.702 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 4.5 tp -77.41 -49.23 15.3 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.621 HG23 HD11 ' A' ' 980' ' ' LEU . 0.9 OUTLIER -59.33 -35.3 57.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 178.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 989' ' ' LYS . 7.3 tp -78.79 -45.92 19.93 Favored 'General case' 0 C--N 1.288 -2.096 0 O-C-N 121.14 -0.975 . . . . 0.0 109.777 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.27 -35.21 71.43 Favored 'General case' 0 C--N 1.281 -2.379 0 C-N-CA 119.163 -1.015 . . . . 0.0 110.362 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 988' ' ' TRP . 5.1 ppp? -74.91 -40.49 60.85 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.702 ' CD1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -61.45 -35.77 78.52 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.502 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.1 mptt -74.6 -39.24 62.31 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.453 -0.779 . . . . 0.0 109.244 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -5.36 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 O-C-N 121.168 -0.957 . . . . 0.0 108.54 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.68 -29.83 0.3 Allowed Glycine 0 N--CA 1.5 2.903 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 988' ' ' TRP . 65.9 t80 -84.34 -17.69 38.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.171 -1.193 . . . . 0.0 110.052 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.01 -12.87 27.71 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-O 122.252 1.025 . . . . 0.0 108.638 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -84.49 -43.73 14.3 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 121.828 0.823 . . . . 0.0 109.139 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.67 ' C ' ' H ' ' A' ' 997' ' ' ARG . 13.9 mtp-105 -82.74 -17.68 43.42 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.779 0.799 . . . . 0.0 111.447 -177.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 997' ' ' ARG . 11.0 t-20 -64.05 20.34 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.576 0 O-C-N 121.805 -0.559 . . . . 0.0 109.792 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.67 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt180 -23.14 88.15 0.04 OUTLIER Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 112.719 0.636 . . . . 0.0 112.719 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.454 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 13.6 Cg_exo -71.29 -5.27 16.65 Favored 'Trans proline' 0 CA--C 1.571 2.327 0 C-N-CA 122.391 2.061 . . . . 0.0 116.497 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.462 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 24.5 Cg_endo -94.33 -156.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.168 0 CA-C-N 122.818 2.042 . . . . 0.0 111.879 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' 1002 ' ' GLU . 5.6 tp -85.67 11.84 10.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.128 -0.982 . . . . 0.0 108.941 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' 1003 ' ' ASP . 28.9 tt0 60.73 -59.59 0.08 Allowed 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.025 0.441 . . . . 0.0 110.919 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' 1000 ' ' LEU . 47.5 mt-10 -44.42 98.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.13 -0.981 . . . . 0.0 110.352 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' 1005 ' ' GLU . 42.7 m-20 -80.3 142.49 34.47 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.156 -0.965 . . . . 0.0 108.898 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -72.86 34.86 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.174 -0.954 . . . . 0.0 110.226 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' 1003 ' ' ASP . 32.8 mt-10 -144.09 -113.26 0.1 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.054 -1.029 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -103.54 130.13 50.89 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.184 -0.947 . . . . 0.0 109.51 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -77.91 -67.51 1.62 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.335 -1.097 . . . . 0.0 109.342 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.703 2.641 . . . . 0.0 119.703 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' B' ' 686' ' ' MET . . . -165.11 6.02 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -1.159 . . . . 0.0 109.475 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . 0.437 ' O ' ' O ' ' B' ' 685' ' ' ALA . 12.8 ttt 57.66 160.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.328 -0.857 . . . . 0.0 109.666 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -83.35 -177.33 51.78 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 75.3 m -74.49 -161.97 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -120.89 -66.09 1.09 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.524 -0.735 . . . . 0.0 109.456 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -85.88 -55.69 2.48 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.466 ' O ' ' O ' ' B' ' 690' ' ' GLY . 71.7 Cg_exo -51.89 -129.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 123.118 2.545 . . . . 0.0 112.693 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.609 ' C ' ' H ' ' B' ' 694' ' ' LEU . 49.2 t0 -163.34 -26.38 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.163 -0.961 . . . . 0.0 110.193 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.555 HG22 ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.82 -5.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 122.582 0.353 . . . . 0.0 111.923 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.609 ' H ' ' C ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.55 -50.99 11.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.439 -1.413 . . . . 0.0 109.888 179.525 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 15.5 t -68.55 -53.8 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.361 -0.837 . . . . 0.0 111.529 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.409 HG22 ' H ' ' B' ' 696' ' ' VAL . 11.5 m -59.75 -32.57 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 110.453 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 60.7 tp -69.14 -45.01 71.17 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.854 -1.154 . . . . 0.0 109.353 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 63.1 mt -54.49 -43.78 72.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.111 -0.993 . . . . 0.0 109.061 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 3.7 t -61.59 -48.5 80.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.204 -0.935 . . . . 0.0 108.793 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 972' ' ' GLY . 1.9 t -54.85 -53.25 34.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.493 -0.755 . . . . 0.0 109.25 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -38.96 75.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.893 -1.129 . . . . 0.0 108.734 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -62.49 -46.51 93.66 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.97 -1.652 . . . . 0.0 108.97 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -56.0 -52.14 65.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.366 -1.079 . . . . 0.0 109.622 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.608 HG23 ' HA2' ' A' ' 976' ' ' GLY . 47.1 mt -52.82 -54.38 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.704 -1.247 . . . . 0.0 107.919 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.457 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.6 tt -55.15 -46.73 75.71 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.94 -49.24 66.12 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.432 -0.792 . . . . 0.0 109.789 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.58 -37.98 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.145 -0.972 . . . . 0.0 109.993 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -74.09 -46.26 22.67 Favored Glycine 0 N--CA 1.479 1.559 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.79 -31.36 71.19 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.631 -0.923 . . . . 0.0 109.026 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.79 -47.66 62.06 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 118.779 -1.168 . . . . 0.0 108.8 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 980' ' ' LEU . . . -73.5 -31.53 63.77 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.442 -0.903 . . . . 0.0 109.704 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.487 HD13 ' O ' ' B' ' 712' ' ' LEU . 0.4 OUTLIER -54.55 -52.93 60.54 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.1 tt -48.75 -51.97 26.23 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.23 -56.74 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.034 -1.041 . . . . 0.0 109.673 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' B' ' 718' ' ' LEU . 5.7 t-105 -60.09 -24.49 64.65 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.152 -0.967 . . . . 0.0 109.575 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.9 95.16 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.182 -0.949 . . . . 0.0 109.073 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.41 -33.86 73.62 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.499 HD13 ' CZ3' ' B' ' 715' ' ' TRP . 3.7 tt -66.12 -37.37 85.56 Favored 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 119.644 -0.822 . . . . 0.0 109.662 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -69.77 -32.88 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 49.0 m -76.33 -51.48 11.85 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.179 -0.951 . . . . 0.0 108.904 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 66.6 mt -56.13 -23.11 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.374 -0.829 . . . . 0.0 109.904 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -69.62 -35.03 74.89 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.56 -28.9 21.67 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.607 -0.683 . . . . 0.0 110.261 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' B' ' 728' ' ' ALA . 5.1 mmp_? -45.15 -30.92 1.26 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.04 -1.038 . . . . 0.0 109.866 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . 0.628 ' HB3' ' HZ1' ' B' ' 729' ' ' LYS . 0.0 OUTLIER -70.77 -59.06 3.02 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.108 -0.995 . . . . 0.0 109.077 179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 730' ' ' PHE . 28.8 tt0 -63.56 -49.88 71.69 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.58 -37.15 48.47 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' B' ' 724' ' ' ARG . . . -73.82 -59.95 2.48 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . 0.628 ' HZ1' ' HB3' ' B' ' 725' ' ' LYS . 1.2 mtmp? -50.38 -25.73 4.19 Favored 'General case' 0 C--N 1.307 -1.269 0 O-C-N 121.43 -0.794 . . . . 0.0 109.292 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.42 ' N ' ' O ' ' B' ' 726' ' ' GLU . 36.0 t80 -70.18 -60.32 2.35 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.594 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -63.56 -25.46 68.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.181 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.35 -47.1 87.44 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.322 -0.861 . . . . 0.0 109.123 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.09 -45.06 90.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.376 -0.827 . . . . 0.0 109.255 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -51.41 -42.7 61.64 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.886 . . . . 0.0 109.634 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -64.88 -60.53 2.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.163 -0.961 . . . . 0.0 109.561 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -52.17 -35.02 47.61 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.208 -0.932 . . . . 0.0 109.694 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.56 83.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.139 -0.976 . . . . 0.0 109.593 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.1 mmmt -60.25 -63.23 1.37 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.357 -0.84 . . . . 0.0 109.884 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -51.97 -21.08 2.74 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' B' ' 738' ' ' LYS . 34.8 t70 -100.67 26.08 7.17 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 121.414 0.626 . . . . 0.0 109.74 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . . . . . . . . . 1.3 m -166.08 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.292 -0.88 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . . . . . . . . . . . 57.54 74.45 0.42 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.528 -0.732 . . . . 0.0 109.572 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' B' ' 743' ' ' ASN . 12.0 t30 43.78 30.25 0.36 Allowed 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.6 -0.687 . . . . 0.0 110.15 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -47.7 109.21 1.05 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.054 -1.029 . . . . 0.0 109.276 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -85.69 20.03 1.3 Allowed 'Trans proline' 0 N--CA 1.486 1.088 0 C-N-CA 122.11 1.874 . . . . 0.0 111.979 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 3.2 pp -46.92 -37.49 9.02 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-O 121.677 0.751 . . . . 0.0 109.278 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -60.59 2.24 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -43.81 -31.63 0.88 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.757 -0.589 . . . . 0.0 109.788 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.75 -38.04 63.98 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.274 -0.891 . . . . 0.0 109.143 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 55.72 53.07 9.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.348 -0.845 . . . . 0.0 109.579 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . 0.436 ' O ' ' O ' ' B' ' 752' ' ' SER . 22.3 p 46.58 39.93 7.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.267 -0.896 . . . . 0.0 109.711 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . 0.436 ' O ' ' O ' ' B' ' 751' ' ' THR . 1.8 m 61.51 138.53 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.419 -0.801 . . . . 0.0 109.681 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 755' ' ' THR . 24.4 m -77.39 -24.67 50.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.921 . . . . 0.0 109.5 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.51 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 51.9 t80 -68.88 8.02 0.59 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.408 -0.808 . . . . 0.0 109.68 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.488 ' H ' ' C ' ' B' ' 753' ' ' THR . 49.1 m -103.35 -18.44 14.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.788 -0.57 . . . . 0.0 109.473 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -82.47 26.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.1 mm -92.03 41.39 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.425 -0.797 . . . . 0.0 109.705 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.488 HG22 ' O ' ' B' ' 758' ' ' THR . 29.8 m -163.18 5.0 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.07 -1.019 . . . . 0.0 109.498 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -99.0 -156.34 0.54 Allowed 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.73 -165.18 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.23 -0.919 . . . . 0.0 109.358 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . 179.9 -113.63 0.4 Allowed Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.236 -1.155 . . . . 0.0 109.462 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.939 0 N-CA-C 119.795 2.678 . . . . 0.0 119.795 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . 49.47 24.43 1.1 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.237 -1.154 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 23.8 mmt -53.09 163.64 0.51 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -173.13 -72.28 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 17.9 p -60.5 101.92 0.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 6.95 3.1 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 962' ' ' ARG . 43.1 mt-10 -89.86 -11.13 42.86 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 961' ' ' GLU . 14.2 mtm105 41.77 80.97 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.572 -0.705 . . . . 0.0 110.03 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -155.62 -62.33 0.11 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.268 -0.895 . . . . 0.0 109.243 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 966' ' ' ILE . 12.7 mt 47.58 68.5 3.44 Favored Pre-proline 0 N--CA 1.488 1.46 0 O-C-N 121.241 -0.912 . . . . 0.0 109.866 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.76 83.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.301 -1.924 0 C-N-CA 122.969 2.446 . . . . 0.0 111.992 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 964' ' ' ILE . 4.6 mm -50.17 -24.95 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.384 -0.823 . . . . 0.0 110.082 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -50.73 62.98 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.586 ' HE1' HD23 ' B' ' 697' ' ' LEU . 1.0 OUTLIER -53.82 -51.09 64.65 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 114.456 -1.247 . . . . 0.0 108.174 179.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.11 -43.6 97.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 974' ' ' LEU . 0.2 OUTLIER -60.94 -50.6 72.73 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.64 0.733 . . . . 0.0 109.327 179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.07 -34.22 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.414 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -76.45 -46.0 13.03 Favored Glycine 0 C--N 1.288 -2.138 0 N-CA-C 107.632 -2.187 . . . . 0.0 107.632 178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 64.7 t -64.49 -26.43 40.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.553 ' O ' HD23 ' A' ' 974' ' ' LEU . 1.0 OUTLIER -68.77 -37.48 79.35 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 178.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.19 -18.14 77.82 Favored Glycine 0 C--N 1.296 -1.655 0 N-CA-C 108.636 -1.786 . . . . 0.0 108.636 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -72.45 -24.08 76.86 Favored Glycine 0 C--N 1.292 -1.916 0 N-CA-C 106.891 -2.484 . . . . 0.0 106.891 178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 10.1 mp -78.22 -31.87 49.57 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.7 -41.62 65.07 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 4.5 tt -71.12 -37.7 72.33 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 19.9 tp -51.55 -46.27 63.3 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.824 -0.548 . . . . 0.0 109.758 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 1.8 t -73.26 -39.57 65.31 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 119.074 -1.051 . . . . 0.0 112.27 -176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.54 -34.42 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 120.803 -1.185 . . . . 0.0 108.762 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.96 -51.13 17.0 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' B' ' 715' ' ' TRP . 2.0 t -57.34 -40.23 72.82 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.065 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.75 -42.98 48.95 Favored 'General case' 0 C--N 1.295 -1.763 0 C-N-CA 119.427 -0.909 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.96 77.66 Favored 'General case' 0 C--N 1.278 -2.534 0 C-N-CA 118.613 -1.235 . . . . 0.0 109.45 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.49 -34.06 60.83 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.016 -1.474 . . . . 0.0 107.968 178.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' A' ' 992' ' ' PHE . 0.0 OUTLIER -63.92 -37.51 87.66 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 177.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.8 tptt -65.18 -44.26 89.04 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.497 ' O ' HG12 ' A' ' 990' ' ' VAL . 8.4 t -56.81 -2.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 C-N-CA 119.756 -0.777 . . . . 0.0 109.027 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -136.79 -27.3 0.38 Allowed Glycine 0 N--CA 1.502 3.039 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 988' ' ' TRP . 35.4 t80 -86.49 -18.1 32.49 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.627 -0.925 . . . . 0.0 109.468 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.37 -10.45 25.52 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 122.501 1.143 . . . . 0.0 108.188 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -66.17 -33.33 75.52 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 122.628 1.204 . . . . 0.0 108.562 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.684 ' C ' ' H ' ' A' ' 997' ' ' ARG . 53.1 mtp85 -72.11 -84.79 0.03 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.36 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 997' ' ' ARG . 13.0 t-20 -61.48 20.71 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.014 0 O-C-N 121.921 -0.487 . . . . 0.0 110.369 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.684 ' H ' ' C ' ' A' ' 995' ' ' ARG . 3.8 mmt85 -22.51 91.9 0.04 OUTLIER Pre-proline 0 N--CA 1.501 2.112 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.478 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 72.0 Cg_endo -71.99 -9.59 24.85 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 18.8 Cg_endo -95.23 161.91 1.61 Allowed 'Trans proline' 0 N--CA 1.489 1.243 0 CA-C-N 122.311 1.861 . . . . 0.0 112.281 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 17.2 tp -83.43 120.69 26.2 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.178 -0.952 . . . . 0.0 108.595 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -134.3 172.97 12.13 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.372 -0.83 . . . . 0.0 109.637 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -59.18 172.36 0.61 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.291 -0.88 . . . . 0.0 109.552 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' 1006 ' ' GLU . 32.7 t70 -96.45 55.28 1.44 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.228 -0.92 . . . . 0.0 109.553 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' A' 1005 ' ' GLU . 21.1 t0 46.58 -145.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.186 -0.946 . . . . 0.0 109.871 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.529 ' H ' ' CG ' ' A' 1004 ' ' ASP . 14.9 mm-40 -48.45 -93.2 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.35 -0.844 . . . . 0.0 109.691 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . 0.641 ' CD ' ' H ' ' A' 1006 ' ' GLU . 24.7 mp0 -45.48 148.27 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.365 -0.834 . . . . 0.0 109.797 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 168.62 57.49 0.03 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' A' 1008 ' ' GLU . 2.6 mp0 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.216 -1.167 . . . . 0.0 109.338 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' B' ' 686' ' ' MET . . . . . . . . 1 N--CA 1.531 5.026 0 N-CA-C 119.814 2.686 . . . . 0.0 119.814 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' B' ' 687' ' ' GLY . . . 49.95 15.38 0.17 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.244 -1.151 . . . . 0.0 109.399 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . 0.435 ' N ' ' C ' ' B' ' 684' ' ' GLY . 11.5 ttt -71.66 46.88 0.13 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.275 -0.891 . . . . 0.0 109.178 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' B' ' 686' ' ' MET . . . -55.3 -170.06 0.07 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 1.8 t -154.99 174.67 14.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.157 -1.202 . . . . 0.0 109.608 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.409 ' N ' ' OG ' ' B' ' 688' ' ' SER . 36.7 tptt -87.73 -36.34 17.41 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.271 -0.893 . . . . 0.0 110.079 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' B' ' 691' ' ' PRO . . . -56.81 -67.92 1.97 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' B' ' 690' ' ' GLY . 35.7 Cg_exo -57.5 -133.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.143 1.895 . . . . 0.0 111.37 179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' B' ' 694' ' ' LEU . 4.4 t70 -164.61 -43.03 0.03 OUTLIER 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.299 -0.875 . . . . 0.0 109.111 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 1.3 mm 59.21 -49.17 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 CA-C-O 121.02 0.438 . . . . 0.0 109.841 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -52.91 -47.27 68.1 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 110.512 -179.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 56.1 t -53.38 -54.66 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.801 -1.187 . . . . 0.0 109.811 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.5 -37.7 79.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 120.854 -1.153 . . . . 0.0 109.022 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.586 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.2 OUTLIER -56.59 -47.1 80.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.132 -0.98 . . . . 0.0 108.836 179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.491 HD23 ' O ' ' B' ' 698' ' ' LEU . 2.5 tt -52.94 -49.94 65.01 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.262 -0.899 . . . . 0.0 108.984 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 58.7 m -58.08 -45.94 86.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.205 -0.935 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 69.4 t -55.11 -48.19 76.37 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 O-C-N 121.41 -0.806 . . . . 0.0 110.317 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.529 ' SD ' ' CD1' ' B' ' 697' ' ' LEU . 0.0 OUTLIER -56.72 -39.84 74.62 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.865 -1.147 . . . . 0.0 109.032 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.67 59.65 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -52.2 -50.68 61.43 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -1.137 . . . . 0.0 109.385 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.714 HG23 ' HA2' ' A' ' 976' ' ' GLY . 82.6 mt -52.5 -55.81 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 120.956 -1.09 . . . . 0.0 108.201 179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.3 tt -56.85 -48.61 77.67 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.607 -0.683 . . . . 0.0 109.39 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.87 -47.83 79.12 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.308 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 66.1 mt -52.64 -38.14 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.089 -1.007 . . . . 0.0 110.2 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -36.87 15.44 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.504 HD23 ' O ' ' B' ' 709' ' ' LEU . 1.0 OUTLIER -63.81 -33.35 75.47 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.81 -48.3 54.83 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.338 -0.945 . . . . 0.0 108.542 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.57 68.28 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 119.558 -0.857 . . . . 0.0 109.457 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 8.1 tp -53.33 -54.39 37.15 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.4 tt -54.34 -53.13 58.08 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.24 -0.912 . . . . 0.0 110.101 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' B' ' 714' ' ' ILE . 1.4 mp -57.21 -44.67 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 120.974 -1.079 . . . . 0.0 109.846 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.467 ' CH2' HD22 ' B' ' 718' ' ' LEU . 5.6 t-105 -69.47 -24.43 63.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.92 -1.112 . . . . 0.0 110.047 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -65.13 -42.44 93.85 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.934 -1.104 . . . . 0.0 109.064 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 3.2 mt -74.5 -27.97 60.79 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.467 HD22 ' CH2' ' B' ' 715' ' ' TRP . 0.8 OUTLIER -66.13 -43.23 87.7 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.813 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -73.8 -32.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 C-N-CA 118.486 -1.285 . . . . 0.0 108.638 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 29.1 m -57.0 -42.56 80.53 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.79 -1.194 . . . . 0.0 108.657 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 61.2 mt -59.0 -24.34 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.42 -0.8 . . . . 0.0 110.215 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.857 -1.152 . . . . 0.0 108.049 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.17 -30.54 20.94 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.578 -0.701 . . . . 0.0 109.806 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -45.42 -33.96 2.87 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.147 -0.97 . . . . 0.0 109.816 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -58.47 5.7 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.148 -0.97 . . . . 0.0 108.906 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 730' ' ' PHE . 46.8 tt0 -62.21 -47.29 85.1 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -52.15 -39.96 60.73 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -72.39 -60.37 2.27 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.05 -25.7 3.67 Favored 'General case' 0 C--N 1.307 -1.247 0 O-C-N 121.36 -0.837 . . . . 0.0 109.267 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' B' ' 726' ' ' GLU . 76.0 t80 -68.97 -60.19 2.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.226 -0.921 . . . . 0.0 109.357 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -66.54 -25.0 66.45 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.227 -0.921 . . . . 0.0 109.398 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.23 -49.33 72.36 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.226 -0.921 . . . . 0.0 109.228 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.27 -44.46 97.2 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.405 -0.81 . . . . 0.0 109.004 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 12.9 mtp-105 -65.01 -31.18 72.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.311 -0.868 . . . . 0.0 109.464 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -70.8 -50.35 36.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.9 . . . . 0.0 109.523 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -65.29 -33.55 76.24 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.252 -0.905 . . . . 0.0 109.493 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -50.25 -40.52 48.12 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.245 -0.91 . . . . 0.0 109.383 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' B' ' 741' ' ' THR . 10.3 mmtt -62.99 -65.97 0.61 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.42 -0.8 . . . . 0.0 109.79 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -51.64 -20.57 2.09 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' B' ' 738' ' ' LYS . 40.8 t0 -99.56 20.98 12.93 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.555 0.693 . . . . 0.0 109.456 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.517 HG22 ' H ' ' B' ' 742' ' ' ALA . 0.2 OUTLIER -169.87 -162.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.517 ' H ' HG22 ' B' ' 741' ' ' THR . . . 47.56 14.46 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.059 -1.025 . . . . 0.0 109.364 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.522 ' O ' ' C ' ' B' ' 744' ' ' ASN . 1.3 t-20 -162.32 24.29 0.11 Allowed 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' B' ' 743' ' ' ASN . 13.9 t-20 -13.7 82.05 0.03 OUTLIER Pre-proline 0 N--CA 1.509 2.512 0 C-N-CA 123.073 0.549 . . . . 0.0 112.014 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . 0.474 ' N ' ' O ' ' B' ' 743' ' ' ASN . 63.7 Cg_endo -90.7 15.87 1.74 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.945 2.43 . . . . 0.0 112.541 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.484 HD21 ' ND2' ' B' ' 744' ' ' ASN . 2.1 pp -87.37 -39.09 15.61 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.434 ' N ' HD12 ' B' ' 746' ' ' LEU . 0.6 OUTLIER -79.95 -53.3 6.87 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.442 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -43.28 -29.22 0.39 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.301 0.572 . . . . 0.0 109.811 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -55.41 -52.28 64.09 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.186 -0.946 . . . . 0.0 109.068 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 46.7 34.62 2.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.417 -0.802 . . . . 0.0 109.82 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 5.4 p 53.33 53.24 12.06 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.213 -0.93 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 7.0 t 57.99 90.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 109.445 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 60.9 m -47.87 -25.34 1.27 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.335 -0.853 . . . . 0.0 109.501 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.4 ' O ' ' C ' ' B' ' 755' ' ' THR . 0.6 OUTLIER -76.05 170.9 15.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.746 ' O ' HG22 ' B' ' 755' ' ' THR . 18.5 m 42.55 40.76 2.06 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 122.009 0.909 . . . . 0.0 109.652 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.09 33.14 2.87 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.106 -0.996 . . . . 0.0 109.165 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 62.1 mt -90.01 79.73 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.4 -0.812 . . . . 0.0 109.419 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.49 ' O ' ' N ' ' B' ' 760' ' ' ARG . 30.9 p -82.91 -150.71 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.393 -0.817 . . . . 0.0 109.433 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.497 ' CD2' ' O ' ' B' ' 759' ' ' TYR . 71.9 t80 -68.02 48.84 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.89 . . . . 0.0 109.499 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 758' ' ' THR . 28.0 mtp180 -101.02 -169.96 1.77 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.414 ' O ' ' OG1' ' B' ' 762' ' ' THR . . . -55.81 101.04 0.11 Allowed Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.655 -1.378 . . . . 0.0 109.655 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 761' ' ' GLY . 22.3 p . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.274 -1.133 . . . . 0.0 109.501 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.95 0 N-CA-C 119.733 2.653 . . . . 0.0 119.733 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -163.65 37.81 0.09 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.541 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.46 ' C ' ' H ' ' A' ' 959' ' ' SER . 34.0 mtt -50.16 165.5 0.09 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 0.0 109.282 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 77.55 -25.61 2.04 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 957' ' ' MET . 1.4 m 64.9 143.47 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.544 -0.974 . . . . 0.0 109.395 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . 0.418 ' CD ' ' N ' ' A' ' 960' ' ' GLU . 14.0 mp0 -141.99 11.37 2.0 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -76.13 -76.62 0.15 Allowed 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -165.7 58.07 0.11 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.351 -0.843 . . . . 0.0 109.937 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -148.08 -87.22 0.09 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.966 -1.084 . . . . 0.0 109.509 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 14.2 mt 44.49 66.97 4.42 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.402 -0.811 . . . . 0.0 110.084 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -51.14 88.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.302 -1.884 0 C-N-CA 122.97 2.447 . . . . 0.0 112.635 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 970' ' ' LEU . 4.8 mm -62.0 -25.44 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.003 -1.06 . . . . 0.0 109.858 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -50.79 -53.63 30.29 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.673 1.225 . . . . 0.0 107.773 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . 0.554 ' HE1' HD23 ' B' ' 697' ' ' LEU . 3.6 t-105 -56.1 -48.35 76.31 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.216 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 12.9 t -62.49 -43.05 97.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 974' ' ' LEU . 2.4 tp -58.14 -49.64 76.28 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.758 0.789 . . . . 0.0 109.316 179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 31.1 t -58.27 -34.22 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 CA-C-O 121.407 0.623 . . . . 0.0 109.668 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.422 ' O ' HD11 ' B' ' 704' ' ' ILE . . . -77.01 -44.51 13.79 Favored Glycine 0 C--N 1.289 -2.076 0 N-CA-C 108.115 -1.994 . . . . 0.0 108.115 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 96.4 t -70.77 -24.27 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.454 -1.027 . . . . 0.0 109.274 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 970' ' ' LEU . 7.6 tt -71.87 -38.85 69.97 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -69.44 -18.03 73.13 Favored Glycine 0 C--N 1.295 -1.712 0 N-CA-C 108.736 -1.745 . . . . 0.0 108.736 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.749 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -70.88 -25.76 75.19 Favored Glycine 0 C--N 1.289 -2.053 0 N-CA-C 107.285 -2.326 . . . . 0.0 107.285 178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.79 -35.53 60.06 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.56 -40.07 84.93 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.803 HD22 HG22 ' B' ' 704' ' ' ILE . 7.2 tp -72.11 -40.07 68.43 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.9 tt -51.33 -41.28 60.45 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.485 -0.759 . . . . 0.0 109.115 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 32.9 p -74.0 -38.76 64.0 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 120.031 -0.668 . . . . 0.0 111.54 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 79.6 mt -71.58 -31.84 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.156 -0.965 . . . . 0.0 108.908 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.47 -49.05 28.82 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 987' ' ' MET . 1.1 t -56.37 -39.1 58.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.864 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.4 tp -77.9 -44.93 25.55 Favored 'General case' 0 C--N 1.288 -2.1 0 O-C-N 120.916 -1.115 . . . . 0.0 109.85 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.48 72.04 Favored 'General case' 0 C--N 1.282 -2.34 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 984' ' ' VAL . 4.0 ppp? -75.82 -36.5 59.65 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 118.292 -1.363 . . . . 0.0 107.556 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.427 ' H ' ' HG3' ' A' ' 987' ' ' MET . 0.0 OUTLIER -63.83 -36.31 83.49 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 177.471 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 991' ' ' GLY . 5.7 tptt -71.78 -35.55 70.06 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.595 0.712 . . . . 0.0 109.906 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -7.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.076 0 O-C-N 121.096 -1.002 . . . . 0.0 108.9 -179.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -128.22 -30.04 0.75 Allowed Glycine 0 N--CA 1.497 2.727 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -86.49 -17.17 34.85 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.204 -1.174 . . . . 0.0 110.232 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.8 -14.17 30.28 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 122.25 1.024 . . . . 0.0 108.351 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -62.63 -40.0 95.61 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -100.53 109.0 21.08 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.75 55.99 1.87 Allowed 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.512 ' C ' ' HD2' ' A' ' 999' ' ' PRO . 2.2 mmt-85 -99.38 91.02 1.31 Allowed Pre-proline 0 N--CA 1.486 1.369 0 O-C-N 121.665 -0.647 . . . . 0.0 112.094 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.491 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 87.0 Cg_endo -76.33 -2.56 12.77 Favored 'Trans proline' 0 CA--C 1.569 2.246 0 C-N-CA 121.783 1.655 . . . . 0.0 116.282 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 997' ' ' ARG . 19.5 Cg_endo -92.28 172.32 2.42 Favored 'Trans proline' 0 N--CA 1.489 1.206 0 CA-C-N 122.508 1.932 . . . . 0.0 111.43 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' 1000 ' ' LEU . 2.1 tt -72.87 80.24 1.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.928 -1.108 . . . . 0.0 108.683 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' 1002 ' ' GLU . 2.4 tm-20 -85.61 106.62 17.04 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.292 -0.88 . . . . 0.0 109.394 -179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' A' 1001 ' ' GLU . 74.9 mt-10 -80.14 -156.79 0.13 Allowed 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.128 -0.983 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -62.57 161.5 11.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.188 -0.945 . . . . 0.0 109.595 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.04 149.24 39.27 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.237 -0.914 . . . . 0.0 109.293 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.483 ' C ' ' H ' ' A' 1007 ' ' GLY . 40.7 mp0 -76.33 -28.82 57.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.191 -0.943 . . . . 0.0 109.649 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.25 17.39 0.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.234 -0.916 . . . . 0.0 109.576 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' 1005 ' ' GLU . . . -49.76 -56.8 10.73 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.275 -1.132 . . . . 0.0 109.579 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 5.007 0 N-CA-C 119.8 2.68 . . . . 0.0 119.8 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -163.19 152.96 15.44 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.28 -1.13 . . . . 0.0 109.404 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 32.4 mtt -80.34 53.29 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.297 -0.877 . . . . 0.0 109.577 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . -79.48 -134.12 1.06 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 2.4 m -150.66 125.32 9.67 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.24 -1.153 . . . . 0.0 109.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -88.72 -11.65 44.51 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.262 -0.899 . . . . 0.0 109.813 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -76.98 -78.69 0.72 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.823 -1.311 . . . . 0.0 109.823 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.81 -154.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.761 2.307 . . . . 0.0 112.178 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' B' ' 694' ' ' LEU . 37.5 t0 -111.26 -19.21 12.74 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . 0.578 HG22 ' O ' ' B' ' 692' ' ' ASP . 18.4 tt 48.15 1.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-O 121.075 0.464 . . . . 0.0 111.128 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' B' ' 692' ' ' ASP . 0.2 OUTLIER -77.16 -52.32 9.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.845 -1.159 . . . . 0.0 109.446 179.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 16.7 t -56.21 -53.84 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.323 -0.861 . . . . 0.0 110.495 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 697' ' ' LEU . 23.8 m -54.63 -34.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 O-C-N 120.991 -1.068 . . . . 0.0 109.187 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.554 HD23 ' HE1' ' A' ' 968' ' ' TRP . 0.3 OUTLIER -58.96 -53.49 57.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.353 -0.842 . . . . 0.0 108.91 179.538 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.76 -32.35 42.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.234 -0.916 . . . . 0.0 109.557 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 8.7 t -63.17 -52.2 63.35 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.109 -0.994 . . . . 0.0 109.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 1.3 t -62.28 -31.5 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.06 -1.025 . . . . 0.0 108.972 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . . . . . . . . . 9.1 mmt -61.94 -37.68 85.61 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.27 98.7 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.726 -2.15 . . . . 0.0 107.726 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.91 91.94 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.543 -0.975 . . . . 0.0 108.402 178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.803 HG22 HD22 ' A' ' 979' ' ' LEU . 55.5 mt -53.01 -53.65 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.498 HD23 ' O ' ' B' ' 705' ' ' LEU . 1.0 OUTLIER -60.26 -43.96 95.7 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.63 -0.669 . . . . 0.0 109.744 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 4.4 mp -68.76 -43.17 76.35 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.284 -0.885 . . . . 0.0 109.844 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.65 -29.51 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.009 -1.057 . . . . 0.0 109.517 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -83.02 -35.4 18.55 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.027 -1.629 . . . . 0.0 109.027 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.06 -31.27 72.4 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.32 60.3 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.82 76.65 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 11.8 tp -53.75 -53.26 54.76 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.46 -52.76 63.5 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.59 -0.694 . . . . 0.0 110.491 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . . . . . . . . . 97.3 mt -56.34 -52.34 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 120.849 -1.157 . . . . 0.0 109.62 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.471 ' NE1' HG13 ' A' ' 984' ' ' VAL . 3.6 t-105 -62.36 -23.3 66.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.399 -0.813 . . . . 0.0 109.629 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -64.45 -43.05 95.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.079 -1.013 . . . . 0.0 108.706 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' B' ' 717' ' ' LEU . 3.9 mm? -68.58 -34.61 76.1 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.547 HD13 ' O ' ' B' ' 718' ' ' LEU . 0.4 OUTLIER -59.74 -53.23 60.39 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 109.401 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -31.46 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 C-N-CA 119.261 -0.976 . . . . 0.0 110.099 -179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 92.3 m -75.91 -35.71 59.68 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.789 -1.194 . . . . 0.0 110.178 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 71.3 mt -73.14 -43.53 57.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.866 -1.146 . . . . 0.0 110.13 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -49.96 -29.31 8.21 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.871 -1.143 . . . . 0.0 108.342 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -88.07 -30.5 19.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.668 -0.645 . . . . 0.0 110.42 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -47.04 -32.65 4.17 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.857 -1.152 . . . . 0.0 109.611 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -59.2 3.51 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.028 -1.045 . . . . 0.0 108.965 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 730' ' ' PHE . 11.4 tm-20 -62.29 -49.65 74.82 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . 0.45 ' N ' ' OE1' ' B' ' 726' ' ' GLU . 54.2 t80 -49.81 -38.91 36.62 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -74.08 -61.28 1.91 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -28.14 3.51 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.353 -0.842 . . . . 0.0 109.363 179.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' B' ' 726' ' ' GLU . 31.0 t80 -72.36 -60.44 2.23 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.178 -0.951 . . . . 0.0 109.313 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.39 -23.56 67.46 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.691 -0.631 . . . . 0.0 109.606 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.16 -51.85 41.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.194 -0.941 . . . . 0.0 109.411 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.94 -38.01 81.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.313 -0.867 . . . . 0.0 109.568 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -62.35 -36.49 82.4 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.183 -0.948 . . . . 0.0 109.618 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -80.09 -39.73 29.02 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.169 -0.957 . . . . 0.0 109.59 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -58.97 -40.98 86.44 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.253 -0.904 . . . . 0.0 109.542 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -53.41 -41.84 66.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.207 -0.933 . . . . 0.0 109.407 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.422 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.5 mmmt -66.06 -60.32 2.94 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.256 -0.903 . . . . 0.0 109.9 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 9.6 t-105 -51.08 -21.01 1.64 Allowed 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.4 t70 -83.94 21.47 1.31 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.568 0.699 . . . . 0.0 109.344 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.617 ' O ' ' HB3' ' B' ' 742' ' ' ALA . 67.3 p -147.65 -136.5 0.08 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.473 -0.767 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 741' ' ' THR . . . 75.02 52.71 0.08 Allowed 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' B' ' 744' ' ' ASN . 9.3 m-80 38.94 36.81 0.17 Allowed 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.984 -0.448 . . . . 0.0 110.447 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' B' ' 743' ' ' ASN . 58.1 t30 -38.61 100.7 0.21 Allowed Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.828 -0.545 . . . . 0.0 110.032 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -90.49 11.67 2.63 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 122.165 1.91 . . . . 0.0 113.757 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.406 ' CD2' ' OD1' ' B' ' 744' ' ' ASN . 2.4 pp -92.89 -38.32 11.78 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.054 -1.029 . . . . 0.0 108.438 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -47.15 9.5 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -42.98 -35.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-O 121.39 0.614 . . . . 0.0 109.726 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 750' ' ' ALA . 1.4 tt0 -72.48 -69.58 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' B' ' 749' ' ' GLU . . . 170.98 -73.12 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -178.89 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.5 -0.75 . . . . 0.0 109.149 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 2.8 m 176.64 141.91 0.07 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.486 -0.759 . . . . 0.0 108.976 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 12.8 m -83.74 -31.05 26.21 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.188 -0.945 . . . . 0.0 109.472 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -94.32 -129.7 0.14 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.394 -0.816 . . . . 0.0 109.34 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.501 ' C ' ' H ' ' B' ' 757' ' ' ILE . 0.4 OUTLIER 64.87 0.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.64 -0.662 . . . . 0.0 109.422 179.844 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' B' ' 756' ' ' ASN . 1.3 t30 -77.05 30.48 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.15 -0.969 . . . . 0.0 108.664 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.501 ' H ' ' C ' ' B' ' 755' ' ' THR . 19.4 mm -42.78 -78.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-O 121.567 0.698 . . . . 0.0 110.415 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.429 ' O ' ' O ' ' B' ' 757' ' ' ILE . 31.1 p 50.83 178.96 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -91.44 85.99 5.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.055 -1.028 . . . . 0.0 109.404 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -79.21 -155.95 0.1 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.239 -0.913 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . . . . . . . . . . . -69.32 151.24 50.84 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.269 -1.136 . . . . 0.0 109.369 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.921 0 N-CA-C 119.821 2.688 . . . . 0.0 119.821 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 957' ' ' MET . . . -160.43 -64.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -1.161 . . . . 0.0 109.568 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 956' ' ' ALA . 14.5 mmt 54.47 174.1 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . 157.69 158.28 8.87 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . . . . . . . . . 56.2 p -68.18 166.43 16.25 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -1.119 . . . . 0.0 109.438 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -82.25 6.29 17.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.279 -0.888 . . . . 0.0 109.234 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 963' ' ' ALA . 41.8 mt-10 -98.79 29.8 3.61 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -54.4 85.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.296 -0.877 . . . . 0.0 109.413 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 961' ' ' GLU . . . -85.46 -14.05 47.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.218 -0.926 . . . . 0.0 109.492 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 13.2 mt 47.15 68.27 3.66 Favored Pre-proline 0 N--CA 1.489 1.486 0 O-C-N 121.203 -0.936 . . . . 0.0 109.657 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.24 128.59 17.48 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.136 2.557 . . . . 0.0 112.358 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 970' ' ' LEU . 2.1 mt -85.41 -24.96 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.404 -0.81 . . . . 0.0 109.952 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -52.08 -50.93 60.61 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -54.8 -53.79 50.67 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-N 114.549 -1.205 . . . . 0.0 107.969 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.84 -42.07 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 974' ' ' LEU . 4.5 tt -59.88 -51.53 69.31 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-O 122.06 0.933 . . . . 0.0 109.026 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.13 -34.32 49.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.718 ' C ' HD11 ' B' ' 704' ' ' ILE . . . -76.01 -47.25 11.64 Favored Glycine 0 C--N 1.29 -1.987 0 N-CA-C 107.517 -2.233 . . . . 0.0 107.517 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.0 -30.09 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 974' ' ' LEU . 0.3 OUTLIER -67.91 -40.73 83.37 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.33 -16.79 77.28 Favored Glycine 0 N--CA 1.481 1.644 0 N-CA-C 108.795 -1.722 . . . . 0.0 108.795 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . 0.599 ' HA2' HG23 ' B' ' 704' ' ' ILE . . . -69.81 -22.55 76.95 Favored Glycine 0 C--N 1.292 -1.897 0 N-CA-C 106.488 -2.645 . . . . 0.0 106.488 178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.55 -44.28 51.82 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 104.68 -2.341 . . . . 0.0 104.68 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.58 -39.61 84.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . 0.476 HD22 HG22 ' B' ' 704' ' ' ILE . 0.8 OUTLIER -73.26 -40.79 64.34 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.479 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.51 -41.99 61.41 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 20.2 p -73.92 -38.0 64.43 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.697 -0.801 . . . . 0.0 111.372 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 83.4 mt -73.31 -31.81 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.199 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.75 -47.15 55.65 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.463 HG13 ' NE1' ' B' ' 715' ' ' TRP . 1.2 t -55.61 -41.01 62.57 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 178.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . 0.529 ' O ' HD13 ' A' ' 985' ' ' LEU . 0.2 OUTLIER -75.94 -40.85 53.22 Favored 'General case' 0 C--N 1.29 -2.0 0 CA-C-O 121.678 0.752 . . . . 0.0 109.819 179.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.51 79.95 Favored 'General case' 0 C--N 1.283 -2.3 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.673 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.0 OUTLIER -74.49 -34.5 63.1 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 118.307 -1.357 . . . . 0.0 107.649 179.12 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.563 ' HE1' ' CD1' ' B' ' 719' ' ' ILE . 0.0 OUTLIER -63.93 -39.42 94.13 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 177.514 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 991' ' ' GLY . 3.7 tptt -66.61 -40.88 89.04 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-O 121.737 0.779 . . . . 0.0 109.191 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 990' ' ' VAL . 10.4 t -56.43 -1.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.068 0 C-N-CA 119.965 -0.694 . . . . 0.0 109.3 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -143.52 -28.21 0.13 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.481 ' N ' ' O ' ' A' ' 988' ' ' TRP . 44.5 t80 -82.67 -13.75 55.86 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.5 -1.0 . . . . 0.0 109.523 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.69 18.71 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-O 122.462 1.125 . . . . 0.0 108.549 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -74.23 -44.91 51.25 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.481 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.556 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.96 -126.25 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.671 0.748 . . . . 0.0 110.141 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.511 ' O ' ' ND2' ' A' ' 996' ' ' ASN . 2.4 t-20 49.88 8.15 0.03 OUTLIER 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.636 -0.665 . . . . 0.0 110.131 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.556 ' H ' ' C ' ' A' ' 995' ' ' ARG . 7.1 mmt180 -35.38 99.3 0.17 Allowed Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 122.147 -0.345 . . . . 0.0 111.485 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.484 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 40.9 Cg_endo -93.47 18.14 0.98 Allowed 'Trans proline' 0 CA--C 1.561 1.843 0 C-N-CA 121.748 1.632 . . . . 0.0 115.687 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 37.3 Cg_endo -87.54 -154.89 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.414 0 CA-C-N 121.856 1.699 . . . . 0.0 111.496 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . . . . . . . . . 7.6 tp -108.71 39.09 2.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.303 -0.873 . . . . 0.0 108.713 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' 1003 ' ' ASP . 40.6 mm-40 -87.72 -17.74 31.03 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -0.907 . . . . 0.0 109.708 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -47.37 95.84 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.92 . . . . 0.0 109.807 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' 1001 ' ' GLU . 44.5 m-20 -79.94 147.86 31.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.414 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.65 -149.02 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.23 -0.919 . . . . 0.0 109.751 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' 1005 ' ' GLU . 15.6 mp0 -48.78 -39.35 24.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.351 -0.843 . . . . 0.0 109.744 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -50.78 -22.98 2.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.27 -0.894 . . . . 0.0 109.75 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . -81.03 -71.23 1.3 Allowed Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.425 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.717 2.647 . . . . 0.0 119.717 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -160.95 -104.33 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -1.158 . . . . 0.0 109.433 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 18.1 ptm -165.64 -22.69 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 162.59 153.72 7.29 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . 0.494 ' OG ' ' N ' ' B' ' 689' ' ' LYS . 31.1 t -92.16 -161.71 0.85 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.342 -1.093 . . . . 0.0 109.396 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . 0.494 ' N ' ' OG ' ' B' ' 688' ' ' SER . 6.3 tmtt? -138.16 -61.1 0.61 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.371 -0.831 . . . . 0.0 109.228 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -60.11 -72.78 0.57 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.43 -152.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.825 2.35 . . . . 0.0 111.932 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 694' ' ' LEU . 54.9 t0 -138.79 -24.32 0.92 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.673 -0.642 . . . . 0.0 109.826 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 65.05 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.622 -0.674 . . . . 0.0 109.716 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' B' ' 692' ' ' ASP . 23.0 tp -55.79 -48.55 75.15 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.022 -1.048 . . . . 0.0 110.652 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 99.6 t -61.02 -54.69 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.976 -1.078 . . . . 0.0 110.691 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.409 HG22 ' H ' ' B' ' 696' ' ' VAL . 6.4 m -64.39 -38.16 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 120.886 -1.134 . . . . 0.0 109.264 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 44.8 tp -52.8 -48.62 66.78 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.057 -1.027 . . . . 0.0 108.466 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . 0.467 HD13 ' O ' ' B' ' 698' ' ' LEU . 0.3 OUTLIER -53.44 -52.84 58.14 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 45.5 t -56.77 -48.71 77.26 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.289 -0.882 . . . . 0.0 108.984 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . . . . . . . . . 47.3 t -53.74 -49.39 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.381 -0.824 . . . . 0.0 109.3 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -52.61 -44.25 65.89 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.219 -0.926 . . . . 0.0 109.535 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -52.02 -48.24 52.61 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.12 -51.88 39.5 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.44 -1.036 . . . . 0.0 109.502 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . 0.718 HD11 ' C ' ' A' ' 972' ' ' GLY . 2.2 mp -53.56 -57.26 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.863 -1.148 . . . . 0.0 108.219 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.518 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.8 OUTLIER -56.89 -38.32 72.64 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.662 -0.649 . . . . 0.0 109.762 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.04 -38.19 66.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.227 -0.921 . . . . 0.0 109.659 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.87 -28.32 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.078 -1.014 . . . . 0.0 109.534 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . . . . . . . . . . . -82.53 -38.48 12.24 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 -33.41 71.99 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.98 64.39 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -69.53 -35.3 75.34 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . . . . . . . . . 46.0 tp -53.97 -44.46 70.78 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 713' ' ' LEU . 1.0 OUTLIER -63.89 -56.35 15.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.67 -0.644 . . . . 0.0 110.727 -178.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.29 -38.95 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.038 -1.039 . . . . 0.0 110.273 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.463 ' NE1' HG13 ' A' ' 984' ' ' VAL . 14.6 t-105 -75.52 -25.62 57.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.769 -1.207 . . . . 0.0 109.791 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -39.82 89.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.11 -0.994 . . . . 0.0 109.413 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' B' ' 717' ' ' LEU . 7.3 mp -74.92 -38.84 61.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.238 -0.914 . . . . 0.0 109.489 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . . . . . . . . . 7.9 tp -60.28 -39.32 86.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.065 -1.022 . . . . 0.0 109.466 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.563 ' CD1' ' HE1' ' A' ' 988' ' ' TRP . 1.0 OUTLIER -71.97 -32.69 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . 0.408 ' CG2' ' NH2' ' B' ' 724' ' ' ARG . 39.1 m -64.45 -23.96 67.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.897 . . . . 0.0 108.701 178.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.17 -41.06 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 O-C-N 121.214 -0.929 . . . . 0.0 109.399 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -53.72 -25.57 19.09 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.6 -34.63 18.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.644 -0.66 . . . . 0.0 110.393 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . 0.408 ' NH2' ' CG2' ' B' ' 720' ' ' THR . 50.3 mmt-85 -46.49 -35.17 5.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.92 -1.113 . . . . 0.0 109.141 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -57.68 7.63 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' B' ' 730' ' ' PHE . 1.6 tm-20 -60.69 -49.09 78.9 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -51.24 -41.78 60.56 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -69.47 -59.56 2.9 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.5 -19.4 1.42 Allowed 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 109.116 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' B' ' 726' ' ' GLU . 29.4 t80 -71.83 -60.65 2.12 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.125 -0.984 . . . . 0.0 108.69 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.4 -26.48 66.72 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.68 -41.78 87.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.212 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.83 -42.69 94.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.33 -0.856 . . . . 0.0 109.46 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -56.58 -38.92 72.65 Favored 'General case' 0 N--CA 1.485 1.323 0 O-C-N 121.165 -0.959 . . . . 0.0 109.107 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -69.4 -41.5 76.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.105 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.11 -31.07 51.09 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -45.86 -41.05 10.77 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' B' ' 741' ' ' THR . 7.2 mmmt -65.9 -66.04 0.6 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.346 -0.846 . . . . 0.0 110.014 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . 0.414 ' C ' ' H ' ' B' ' 741' ' ' THR . 2.2 t90 -51.5 -21.49 2.47 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' B' ' 741' ' ' THR . 27.5 t70 -84.17 25.51 0.84 Allowed 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' B' ' 742' ' ' ALA . 0.2 OUTLIER 84.98 170.01 0.08 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.49 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' B' ' 741' ' ' THR . . . 156.85 -96.41 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' B' ' 744' ' ' ASN . 63.8 m-20 -106.42 12.39 29.76 Favored 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.472 ' OD1' HD21 ' B' ' 746' ' ' LEU . 57.2 t30 -39.39 100.66 0.22 Allowed Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 122.157 -0.339 . . . . 0.0 110.237 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -92.85 11.04 2.19 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 C-N-CA 122.15 1.9 . . . . 0.0 113.191 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . 0.472 HD21 ' OD1' ' B' ' 744' ' ' ASN . 2.1 pp -96.58 -37.99 10.15 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.313 -0.867 . . . . 0.0 108.956 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' B' ' 748' ' ' LYS . 0.4 OUTLIER -84.35 -41.21 16.99 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.2 tttp -41.46 -35.04 0.62 Allowed 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.405 0.622 . . . . 0.0 109.591 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.39 -73.95 0.23 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . -176.39 -83.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -175.46 -29.47 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.901 0.858 . . . . 0.0 109.211 179.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 3.9 m -179.4 -165.98 0.08 Allowed 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 80.5 m -123.36 -88.01 0.62 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.421 -0.799 . . . . 0.0 109.173 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.4 131.86 39.64 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . 0.716 ' O ' HG22 ' B' ' 755' ' ' THR . 77.7 m -167.29 19.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.81 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' B' ' 758' ' ' THR . 8.7 t-20 -137.39 55.99 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.052 -1.03 . . . . 0.0 109.631 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . . . . . . . . . 8.4 mm -62.75 74.84 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.918 . . . . 0.0 109.33 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.553 ' O ' ' N ' ' B' ' 760' ' ' ARG . 10.8 p -146.23 -172.16 3.88 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.154 -0.966 . . . . 0.0 109.532 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' B' ' 760' ' ' ARG . 30.9 t80 34.71 -88.29 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.468 0.651 . . . . 0.0 111.277 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 758' ' ' THR . 51.9 mtt180 -34.36 100.63 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 CA-C-O 121.326 0.584 . . . . 0.0 110.734 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 762' ' ' THR . . . -62.49 -68.04 1.83 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.431 ' O ' ' O ' ' B' ' 761' ' ' GLY . 17.9 m . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.313 -1.11 . . . . 0.0 109.407 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.96 0 N-CA-C 119.77 2.668 . . . . 0.0 119.77 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' ALA . . . . . . . . . . . . . . . -78.43 -26.17 46.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -1.135 . . . . 0.0 109.446 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' MET . . . . . . . . . . . . . 47.1 ttp -75.32 -74.57 0.2 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.267 -0.896 . . . . 0.0 109.424 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' GLY . . . . . . . . . . . . . . . -161.61 155.83 27.16 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 961' ' ' GLU . 6.3 m -165.24 -161.04 0.51 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -1.128 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -69.25 6.1 1.09 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 109.252 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 959' ' ' SER . 37.2 mt-10 -88.48 6.3 38.35 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.72 -0.613 . . . . 0.0 109.447 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -68.71 113.32 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.162 -0.961 . . . . 0.0 109.381 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' ALA . . . . . . . . . . . . . . . -172.26 -56.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.272 -0.893 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' ILE . . . . . . . . . . . . . 12.9 mt 46.71 66.81 5.08 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.381 -0.825 . . . . 0.0 110.155 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.89 135.5 35.93 Favored 'Trans proline' 0 C--N 1.303 -1.851 0 C-N-CA 122.79 2.327 . . . . 0.0 111.569 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' ILE . . . . . . . . . . . . . 2.0 mt -80.86 -27.55 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 110.463 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -54.64 -51.46 65.36 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 122.77 1.272 . . . . 0.0 107.682 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.19 -44.97 79.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.488 -1.233 . . . . 0.0 107.96 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.52 -44.72 90.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 974' ' ' LEU . 1.7 tp -52.07 -49.92 62.57 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.92 0.866 . . . . 0.0 108.72 178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.16 -49.11 84.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.8 -47.43 89.06 Favored Glycine 0 C--N 1.29 -1.974 0 N-CA-C 108.213 -1.955 . . . . 0.0 108.213 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.0 -30.16 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.597 -0.943 . . . . 0.0 108.519 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 974' ' ' LEU . 3.9 tt -66.58 -46.19 76.8 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' GLY . . . . . . . . . . . . . . . -72.07 -17.74 77.38 Favored Glycine 0 N--CA 1.48 1.592 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' GLY . . . . . . . . . . . . . . . -70.55 -25.58 75.48 Favored Glycine 0 C--N 1.289 -2.038 0 N-CA-C 106.753 -2.539 . . . . 0.0 106.753 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.59 -36.99 60.19 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' LEU . . . . . . . . . . . . . 11.8 tp -66.09 -41.84 90.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -43.38 69.5 Favored 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 980' ' ' LEU . 10.4 tt -51.35 -41.35 60.55 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.602 -0.686 . . . . 0.0 109.525 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' THR . . . . . . . . . . . . . 37.0 p -73.28 -39.47 65.34 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.832 -0.747 . . . . 0.0 112.069 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ILE . . . . . . . . . . . . . 73.6 mt -71.55 -31.38 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.001 -1.062 . . . . 0.0 108.959 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' LEU . . . . . . . . . . . . . 1.4 tp -76.07 -47.67 23.72 Favored 'General case' 0 C--N 1.289 -2.024 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' B' ' 715' ' ' TRP . 1.7 t -57.03 -40.78 75.19 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' LEU . . . . . . . . . . . . . 6.7 tp -75.95 -42.85 47.32 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 119.576 -0.85 . . . . 0.0 110.311 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' ALA . . . . . . . . . . . . . . . -59.48 -37.02 77.14 Favored 'General case' 0 C--N 1.277 -2.553 0 C-N-CA 118.651 -1.22 . . . . 0.0 109.522 -177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' MET . . . . . 0.515 ' HG3' ' N ' ' A' ' 988' ' ' TRP . 0.1 OUTLIER -75.12 -32.84 61.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.217 -1.393 . . . . 0.0 107.979 179.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' TRP . . . . . 0.639 ' HE1' HD11 ' B' ' 719' ' ' ILE . 0.0 OUTLIER -65.89 -38.18 88.06 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 991' ' ' GLY . 4.5 tptt -69.62 -37.43 76.84 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.673 0.749 . . . . 0.0 109.156 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 990' ' ' VAL . 5.5 t -56.78 -2.25 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.29 -2.006 0 O-C-N 121.618 -0.676 . . . . 0.0 109.203 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 989' ' ' LYS . . . -146.4 -29.19 0.08 OUTLIER Glycine 0 N--CA 1.5 2.901 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' PHE . . . . . 0.492 ' CD1' ' CZ3' ' A' ' 988' ' ' TRP . 87.0 t80 -79.4 -16.06 56.83 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.471 -1.017 . . . . 0.0 109.694 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -94.82 -21.95 18.37 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 122.21 1.005 . . . . 0.0 109.359 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' LYS . . . . . 0.653 ' N ' ' HZ2' ' A' ' 994' ' ' LYS . 0.0 OUTLIER -73.02 -44.13 61.26 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-O 121.875 0.845 . . . . 0.0 109.204 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.614 ' C ' ' H ' ' A' ' 997' ' ' ARG . 75.1 mtp180 -81.9 -48.18 11.84 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 121.313 -0.867 . . . . 0.0 111.504 -178.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 997' ' ' ARG . 40.6 t30 -61.2 6.19 0.05 Allowed 'General case' 0 C--N 1.282 -2.357 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.627 -179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' ARG . . . . . 0.614 ' H ' ' C ' ' A' ' 995' ' ' ARG . 0.3 OUTLIER -34.15 98.74 0.15 Allowed Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 179.622 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' PRO . . . . . 0.475 ' N ' ' CD ' ' A' ' 999' ' ' PRO . 93.5 Cg_endo -74.18 -9.13 21.7 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 116.656 1.752 . . . . 0.0 116.656 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 998' ' ' PRO . 47.9 Cg_endo -89.91 -156.74 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.399 0 CA-C-N 122.414 1.898 . . . . 0.0 112.174 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' 1000 ' ' LEU . 1.6 tt -82.67 105.66 13.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.255 -0.903 . . . . 0.0 109.255 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' 1003 ' ' ASP . 10.1 mm-40 -142.66 4.32 1.52 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.288 -0.883 . . . . 0.0 108.79 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.71 35.39 0.1 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.324 -0.86 . . . . 0.0 109.476 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' 1001 ' ' GLU . 46.3 t0 -111.77 115.56 29.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.607 -0.683 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -63.1 89.88 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.239 -0.913 . . . . 0.0 109.501 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -74.2 0.17 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.261 -0.9 . . . . 0.0 108.864 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -70.12 72.42 0.43 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' GLY . . . . . . . . . . . . . . . 169.47 -128.33 1.65 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.263 -1.139 . . . . 0.0 109.519 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.799 2.68 . . . . 0.0 119.799 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 685' ' ' ALA . . . . . . . . . . . . . . . -79.76 155.13 28.07 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -1.157 . . . . 0.0 109.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 686' ' ' MET . . . . . . . . . . . . . 45.8 mtt -74.09 -13.43 60.83 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.217 -0.927 . . . . 0.0 109.413 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 687' ' ' GLY . . . . . . . . . . . . . . . 169.72 -143.93 8.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 688' ' ' SER . . . . . . . . . . . . . 39.0 m -150.77 165.5 33.31 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.198 -1.177 . . . . 0.0 109.417 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 689' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -80.31 -37.66 32.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.221 -0.925 . . . . 0.0 109.667 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 690' ' ' GLY . . . . . . . . . . . . . . . -51.49 -78.41 0.1 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.421 -1.471 . . . . 0.0 109.421 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 691' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.06 -152.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.638 2.225 . . . . 0.0 111.785 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 692' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' B' ' 694' ' ' LEU . 66.8 t0 -145.81 -29.2 0.42 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 109.549 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 693' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 63.4 -22.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.569 -0.707 . . . . 0.0 110.108 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 694' ' ' LEU . . . . . 0.578 ' H ' ' C ' ' B' ' 692' ' ' ASP . 27.2 tp -62.0 -43.53 98.64 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.62 -1.3 . . . . 0.0 110.317 -179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 695' ' ' VAL . . . . . . . . . . . . . 62.1 t -60.77 -54.32 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 120.984 -1.072 . . . . 0.0 110.362 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.448 ' H ' HG22 ' B' ' 696' ' ' VAL . 3.4 m -67.1 -38.35 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.925 -1.109 . . . . 0.0 109.395 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.453 ' O ' ' SD ' ' B' ' 701' ' ' MET . 25.3 tp -52.43 -50.34 62.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.863 -1.148 . . . . 0.0 108.727 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 698' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.46 -50.94 64.23 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.217 -0.927 . . . . 0.0 108.856 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 699' ' ' SER . . . . . . . . . . . . . 39.1 p -59.24 -49.04 79.38 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.297 -0.877 . . . . 0.0 109.161 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 700' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 696' ' ' VAL . 74.9 t -53.93 -50.94 49.94 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.413 -0.804 . . . . 0.0 109.691 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 701' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' B' ' 701' ' ' MET . 0.0 OUTLIER -56.67 -42.23 78.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.061 -1.024 . . . . 0.0 109.043 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 702' ' ' GLY . . . . . . . . . . . . . . . -53.5 -46.87 64.54 Favored Glycine 0 N--CA 1.488 2.153 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 703' ' ' ALA . . . . . . . . . . . . . . . -50.84 -50.97 55.59 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.314 -1.109 . . . . 0.0 109.277 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 704' ' ' ILE . . . . . . . . . . . . . 29.3 mt -52.44 -56.78 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 120.929 -1.107 . . . . 0.0 108.186 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 705' ' ' LEU . . . . . 0.488 HD23 ' O ' ' B' ' 705' ' ' LEU . 0.9 OUTLIER -58.43 -45.23 88.87 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.229 0.538 . . . . 0.0 109.83 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 706' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.67 -44.58 81.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.299 -0.876 . . . . 0.0 109.792 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 707' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.14 -28.97 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.118 -0.989 . . . . 0.0 109.92 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 708' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' B' ' 712' ' ' LEU . . . -81.14 -44.22 8.24 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 -179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 709' ' ' LEU . . . . . 0.414 HD23 HD23 ' B' ' 705' ' ' LEU . 3.0 mm? -60.89 -31.53 71.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.8 51.49 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.298 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 711' ' ' ALA . . . . . . . . . . . . . . . -70.59 -31.78 68.91 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 712' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 708' ' ' GLY . 8.7 tp -56.46 -53.79 53.31 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.877 0.846 . . . . 0.0 108.863 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 713' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.3 -51.72 67.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.719 -0.613 . . . . 0.0 110.711 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 714' ' ' ILE . . . . . 0.415 ' N ' HD12 ' B' ' 714' ' ' ILE . 1.4 mp -58.79 -42.57 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.749 -1.219 . . . . 0.0 109.411 -179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 715' ' ' TRP . . . . . 0.436 ' CD1' HG13 ' A' ' 984' ' ' VAL . 9.4 t-105 -71.38 -23.48 61.89 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.973 -1.079 . . . . 0.0 109.95 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.528 ' NZ ' ' OG1' ' B' ' 720' ' ' THR . 0.0 OUTLIER -67.76 -48.97 64.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.095 -1.003 . . . . 0.0 108.966 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . 0.436 HD12 ' N ' ' B' ' 717' ' ' LEU . 11.1 mp -63.05 -39.88 96.03 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.243 -0.91 . . . . 0.0 108.686 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 718' ' ' LEU . . . . . 0.417 HD22 ' CZ3' ' B' ' 715' ' ' TRP . 0.5 OUTLIER -60.68 -39.43 88.41 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.295 -0.878 . . . . 0.0 109.283 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 719' ' ' ILE . . . . . 0.639 HD11 ' HE1' ' A' ' 988' ' ' TRP . 0.2 OUTLIER -76.94 -32.25 19.63 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.005 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . 0.528 ' OG1' ' NZ ' ' B' ' 716' ' ' LYS . 43.6 m -71.97 -29.16 63.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.974 -1.079 . . . . 0.0 109.095 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 721' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.6 -43.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.935 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 722' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -51.7 -26.91 10.24 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.792 -1.192 . . . . 0.0 108.068 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 723' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.78 -35.95 17.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.552 -0.718 . . . . 0.0 110.155 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 724' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -46.24 -32.53 3.11 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.981 -1.074 . . . . 0.0 109.517 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 725' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -58.99 3.36 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.251 -0.906 . . . . 0.0 109.197 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 726' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' B' ' 730' ' ' PHE . 69.9 tt0 -62.43 -48.3 80.26 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 727' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -50.21 -41.26 49.44 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.25 -61.63 1.7 Allowed 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 729' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -20.56 1.04 Allowed 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.415 -0.803 . . . . 0.0 109.397 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 730' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' B' ' 726' ' ' GLU . 54.0 t80 -73.15 -60.08 2.4 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 731' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.75 -23.81 66.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.263 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 732' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -69.98 -43.43 71.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.518 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -64.51 -39.41 93.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.298 -0.876 . . . . 0.0 109.534 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 734' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -67.22 -30.02 69.83 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.237 -0.915 . . . . 0.0 109.747 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 735' ' ' ALA . . . . . . . . . . . . . . . -83.43 -39.93 19.96 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.277 -0.889 . . . . 0.0 109.631 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -70.02 -35.5 74.38 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 109.614 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 737' ' ' ALA . . . . . . . . . . . . . . . -54.1 -34.6 60.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.381 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 738' ' ' LYS . . . . . 0.427 ' C ' ' N ' ' B' ' 740' ' ' ASP . 7.3 mmmt -67.96 -64.62 0.82 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.257 -0.902 . . . . 0.0 110.146 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 739' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -51.21 -20.47 1.59 Allowed 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 740' ' ' ASP . . . . . 0.427 ' N ' ' C ' ' B' ' 738' ' ' LYS . 25.8 t70 -77.89 9.75 3.34 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 119.986 -0.685 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 741' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' B' ' 742' ' ' ALA . 1.8 t 177.63 -136.13 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 742' ' ' ALA . . . . . 0.561 ' N ' ' OG1' ' B' ' 741' ' ' THR . . . 55.14 -134.16 1.55 Allowed 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 743' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -72.23 30.23 0.05 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.392 -0.817 . . . . 0.0 109.763 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 744' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' B' ' 742' ' ' ALA . 5.0 t-20 -51.2 111.93 2.68 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.112 -0.993 . . . . 0.0 108.736 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 745' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -81.32 0.74 9.77 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.811 1.674 . . . . 0.0 112.149 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 746' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.73 -17.21 30.37 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 747' ' ' TYR . . . . . 0.46 ' N ' ' OD1' ' B' ' 744' ' ' ASN . 0.3 OUTLIER -84.66 -50.12 7.92 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 -179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 748' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 747' ' ' TYR . 47.4 tttp -41.35 -35.62 0.68 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.335 0.588 . . . . 0.0 109.906 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 749' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.48 -55.95 25.55 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.345 -0.847 . . . . 0.0 108.847 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 750' ' ' ALA . . . . . . . . . . . . . . . 46.67 30.06 1.07 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.467 -0.771 . . . . 0.0 109.866 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 751' ' ' THR . . . . . . . . . . . . . 23.2 p 51.73 61.69 3.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.301 -0.874 . . . . 0.0 108.971 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 752' ' ' SER . . . . . . . . . . . . . 9.3 m -43.12 146.07 0.46 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.668 -0.645 . . . . 0.0 110.039 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 753' ' ' THR . . . . . . . . . . . . . 18.2 m -56.79 -26.89 58.82 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.29 -0.881 . . . . 0.0 109.822 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 754' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' B' ' 754' ' ' PHE . 39.3 t80 -76.94 5.79 7.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.287 -0.883 . . . . 0.0 109.462 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 755' ' ' THR . . . . . . . . . . . . . 37.2 m -93.93 -10.1 34.91 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 756' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' B' ' 758' ' ' THR . 11.0 t-20 -125.44 50.41 1.81 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 757' ' ' ILE . . . . . 0.815 ' H ' HD12 ' B' ' 757' ' ' ILE . 1.6 mp -43.7 98.1 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.472 -0.768 . . . . 0.0 109.986 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 758' ' ' THR . . . . . 0.457 HG22 ' O ' ' B' ' 758' ' ' THR . 26.2 m -160.63 5.02 0.07 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.263 -0.898 . . . . 0.0 109.058 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 759' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -136.89 33.32 2.65 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 760' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' B' ' 761' ' ' GLY . 69.1 mtp180 -54.87 138.27 43.33 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.378 -0.826 . . . . 0.0 109.488 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 761' ' ' GLY . . . . . 0.423 ' O ' ' OXT' ' B' ' 762' ' ' THR . . . -63.18 -128.21 0.01 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 762' ' ' THR . . . . . 0.423 ' OXT' ' O ' ' B' ' 761' ' ' GLY . 24.0 m . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.208 -1.171 . . . . 0.0 109.493 179.988 . . . . . . . . 1 1 . 1 stop_ save_