data_2klu_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 2klu _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 ' 375' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 384' ' ' LEU . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 381' ' ' ALA . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 377' ' ' LEU . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 384' ' ' LEU . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.456 ' CD1' HG11 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 380' ' ' VAL . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 384' ' ' LEU . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 379' ' ' GLY . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 377' ' ' LEU . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 379' ' ' GLY . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 379' ' ' GLY . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.442 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 377' ' ' LEU . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 384' ' ' LEU . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.405 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.453 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . 0.496 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . 0.496 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 377' ' ' LEU . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 377' ' ' LEU . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 392' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 389' ' ' LEU . 7.5 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 381' ' ' ALA . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . 0.52 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 377' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 377' ' ' LEU . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' PHE . . . . . 0.441 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.24 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 154.67 45.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.16 129.88 36.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -77.43 -174.17 40.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 372' ' ' MET . 7.8 m 60.57 157.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.432 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 76.81 -54.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.96 -23.39 44.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 374' ' ' LEU . 0.2 OUTLIER -63.45 -48.56 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.1 mp -66.74 -44.85 89.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.471 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -41.16 -45.25 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.6 m-30 -62.12 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 51.58 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 36.9 t -144.19 -65.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -44.05 -56.6 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 4.8 m -122.92 168.15 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -72.3 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.31 61.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.598 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.496 ' CD ' ' CD ' ' A' ' 405' ' ' GLU . 7.2 mtm105 -95.85 89.78 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 88.65 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.31 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -140.99 73.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.496 ' CD ' ' CD ' ' A' ' 400' ' ' ARG . 2.5 mm-40 45.96 -94.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 404' ' ' ALA . 41.4 mtm180 -152.73 42.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 408' ' ' SER . 1.0 OUTLIER -117.4 145.91 43.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.79 -48.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.63 -37.46 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 414' ' ' LEU . 0.9 OUTLIER -85.62 -34.05 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -47.05 -61.18 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 413' ' ' LEU . 20.5 mmt-85 -61.22 -51.51 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 414' ' ' LEU . 1.6 tm? -40.08 -47.86 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 410' ' ' ILE . 12.1 mt -81.37 -42.83 19.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 414' ' ' LEU . 5.3 t -39.0 -30.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 414' ' ' LEU . 2.4 tt0 -124.53 108.31 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -59.31 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -99.07 152.73 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 32.9 p -60.53 177.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.68 110.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -39.24 146.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 18.3 p -165.84 158.15 12.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.28 -63.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 115.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 427' ' ' GLN . 0.1 OUTLIER -87.24 92.25 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 426' ' ' PHE . 0.0 OUTLIER 40.71 -161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -78.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' THR . . . . . 0.436 ' O ' ' CG2' ' A' ' 429' ' ' THR . 1.0 OUTLIER 47.57 79.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -169.28 97.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 151.07 54.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.01 36.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.75 -2.22 51.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.52 44.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 153.81 42.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -48.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 179.17 -137.02 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 372' ' ' MET . 8.3 t -49.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 371' ' ' SER . 1.4 ttm 79.77 -52.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -80.31 -29.41 38.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.3 OUTLIER -56.96 -43.12 81.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.404 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -71.27 -44.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . 0.516 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -55.97 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -41.87 -49.83 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 69.9 m -63.35 -41.97 98.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.28 -65.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -34.7 64.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.59 118.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 65.86 138.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -76.84 155.96 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.491 ' HG2' ' CG ' ' A' ' 405' ' ' GLU . 16.1 mtp-105 63.29 42.0 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.15 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 403' ' ' GLN . 1.4 mmt180 -167.31 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 402' ' ' ARG . 26.2 mm-40 38.7 65.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.49 -67.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.491 ' CG ' ' HG2' ' A' ' 400' ' ' ARG . 3.5 mt-10 47.31 -94.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -93.33 -42.0 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.79 -33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 406' ' ' ARG . 18.9 t -51.83 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 11.1 pt20 -52.78 -46.25 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.484 ' N ' ' CG ' ' A' ' 409' ' ' GLN . 1.3 mp -50.67 -49.92 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -40.34 -45.61 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -84.91 -51.24 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.46 -49.42 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 416' ' ' GLU . 64.1 mt -78.95 -68.41 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 39.1 t 66.86 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 9.2 mt-10 -116.99 146.34 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -81.27 -62.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -164.08 170.51 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t -78.47 123.31 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.0 t -179.68 167.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -39.39 125.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.75 161.75 24.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.66 38.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -168.98 149.55 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.27 168.6 9.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.8 t80 53.84 100.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.73 63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.3 174.56 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 12.4 t -144.32 157.95 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.93 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 150.7 17.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -2.1 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 368' ' ' PRO . 0.2 OUTLIER -124.44 135.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.94 136.88 21.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -85.9 156.51 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.37 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 372' ' ' MET . 1.3 m 177.95 165.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 80.17 -51.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -79.66 -29.38 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -54.76 -37.92 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -78.89 -41.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -40.78 -61.77 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.52 -34.24 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.7 t -65.57 -51.88 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 397' ' ' SER . 70.7 t -56.01 -61.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -65.73 76.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 395' ' ' VAL . 0.3 OUTLIER -125.2 79.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.973 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 51.51 99.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -116.94 121.9 42.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.432 ' CG ' ' CD ' ' A' ' 405' ' ' GLU . 0.3 OUTLIER 41.22 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 94.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.5 -67.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -140.58 83.05 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -175.63 69.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.432 ' CD ' ' CG ' ' A' ' 400' ' ' ARG . 3.7 mm-40 -132.18 -62.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -82.98 -36.94 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.32 -47.87 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.4 t -40.67 -52.75 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.54 -58.1 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 414' ' ' LEU . 1.9 mp -41.35 -52.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -46.69 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.43 -50.03 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 414' ' ' LEU . 0.1 OUTLIER -41.75 -52.57 3.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 410' ' ' ILE . 20.0 mt -77.17 -65.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.38 115.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.82 -16.57 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.73 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 59.34 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.5 t -80.2 139.66 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 19.6 m -50.5 131.99 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 7.8 pt20 -156.19 139.48 15.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 96.1 p -38.75 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 421' ' ' GLN . 18.2 Cg_endo -74.99 -44.13 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 64.2 m170 43.41 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.05 138.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.22 129.89 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.34 161.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 59.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 29.0 m 63.46 139.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 431' ' ' SER . 26.3 p80 -150.83 129.9 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 430' ' ' HIS . 1.8 p -38.94 157.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.17 29.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -2.31 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 155.35 44.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 135.48 19.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 48.53 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -94.93 124.2 7.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 375' ' ' ILE . 66.3 p 53.43 78.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.82 -44.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.41 -36.84 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.3 -42.84 67.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 371' ' ' SER . 3.4 mp -66.08 -44.3 91.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.462 HG12 ' CD1' ' A' ' 384' ' ' LEU . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.492 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.402 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 1.5 t80 -40.8 -52.4 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.81 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 1.8 m -60.86 -61.28 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -45.48 -58.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 1.3 mtp-105 -58.76 -64.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.7 m 60.06 151.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 399' ' ' HIS . 9.9 mtp-105 -149.08 93.08 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 398' ' ' ARG . 5.4 m170 -168.73 95.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.604 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 402' ' ' ARG . 1.6 mtt85 -59.83 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 47.16 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 400' ' ' ARG . 0.0 OUTLIER -107.14 -165.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -38.78 96.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 403' ' ' GLN . . . 164.72 57.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 400' ' ' ARG . 1.4 mm-40 -123.51 -59.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.441 ' O ' ' CD1' ' A' ' 410' ' ' ILE . 1.8 ptt85 -89.65 -37.91 14.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -58.19 -44.89 88.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.506 ' O ' ' CE ' ' A' ' 411' ' ' LYS . 81.2 p -64.04 -11.31 28.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -113.52 -4.97 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.493 ' CG2' ' CD1' ' A' ' 414' ' ' LEU . 1.0 OUTLIER -116.76 -8.73 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.428 ' C ' ' N ' ' A' ' 414' ' ' LEU . 0.4 OUTLIER -94.86 -50.14 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 414' ' ' LEU . 1.5 tm? -39.84 -30.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.493 ' CD1' ' CG2' ' A' ' 410' ' ' ILE . 9.7 mt -100.21 -62.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 25.0 t 60.77 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 135.21 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -46.0 122.61 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -149.76 177.29 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.3 t -100.15 151.5 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 21.0 p -169.99 -59.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? 61.38 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.6 t -161.38 149.01 12.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -123.96 60.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -153.45 148.19 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.14 100.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 429' ' ' THR . 1.4 mt-30 -104.06 171.1 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 427' ' ' GLN . 16.7 m 46.86 88.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.453 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 84.73 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 158.49 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.37 20.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -2.28 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.36 155.75 44.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 369' ' ' ARG . 18.4 Cg_endo -74.97 176.47 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 368' ' ' PRO . 3.3 ttt85 38.32 90.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -116.51 133.48 10.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.454 ' C ' ' CD1' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -105.07 65.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.052 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 -44.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -84.37 -38.74 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -53.54 -40.04 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.454 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.4 mp -66.04 -47.92 83.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 381' ' ' ALA . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . 0.465 ' CD1' HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.465 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 66.4 t80 -42.49 -50.03 5.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.479 ' CD1' HD12 ' A' ' 389' ' ' LEU . 3.3 m-85 -57.29 -46.3 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -58.4 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.7 t -41.43 -61.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 22.1 mtp180 -40.99 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 51.7 p -178.24 163.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -63.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.467 ' CA ' ' HB3' ' A' ' 404' ' ' ALA . 17.1 p-80 -175.76 176.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.474 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 0.3 OUTLIER -38.49 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 399' ' ' HIS . 1.5 mtp180 -171.75 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.502 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER -138.51 -56.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 18.8 mt-30 -165.8 84.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.467 ' HB3' ' CA ' ' A' ' 399' ' ' HIS . . . -168.35 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 406' ' ' ARG . 1.6 mt-10 64.01 11.66 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 405' ' ' GLU . 4.5 ttp85 84.75 29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.471 ' CE ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -86.47 -19.75 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 407' ' ' MET . 90.2 p -67.12 -45.59 76.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.95 -36.93 67.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -65.76 -35.82 76.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.471 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.7 OUTLIER -39.77 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 413' ' ' LEU . 9.4 mmt180 -54.94 -53.44 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 413' ' ' LEU . 0.9 OUTLIER -39.33 -47.09 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 410' ' ' ILE . 32.4 mt -76.99 -67.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 30.4 t 60.16 118.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.3 158.31 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 137.72 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.37 166.38 23.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.2 p -105.71 90.39 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 103.9 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -143.74 -54.23 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.3 m 47.89 87.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.61 42.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.69 174.11 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 61.36 124.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -169.05 -52.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.58 167.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.71 89.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 38.5 m -113.57 143.23 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 431' ' ' SER . 0.8 OUTLIER 63.04 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.569 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' SER . . . . . 0.593 ' O ' ' CE1' ' A' ' 430' ' ' HIS . 18.1 m -87.89 150.64 48.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -5.63 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.7 m -75.08 154.91 86.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.97 94.85 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 144.04 -105.92 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 372' ' ' MET . 53.6 m -58.86 175.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 109.968 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 76.04 -55.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.31 -21.32 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.3 OUTLIER -63.6 -44.5 93.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.421 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.4 mp -69.95 -44.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.4 -36.86 79.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.4 m-85 -81.29 -19.7 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 39.8 t -69.92 -35.12 74.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.91 -21.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -92.69 -152.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 53.9 p -110.01 112.72 24.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.9 79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 174.09 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 405' ' ' GLU . 0.0 OUTLIER 65.25 113.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 4.3 mpp_? -107.2 65.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.77 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -119.2 80.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.02 71.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 400' ' ' ARG . 4.9 mm-40 -140.88 -56.88 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.419 ' O ' ' CD1' ' A' ' 410' ' ' ILE . 12.0 ttt85 -85.46 -35.0 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -52.47 40.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 6.2 t -39.95 -60.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.55 -52.01 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.448 HG22 ' CD1' ' A' ' 414' ' ' LEU . 1.7 mp -49.53 -41.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -47.91 -44.58 29.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -86.58 -49.12 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.428 ' CD2' HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -41.53 -48.38 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' A' ' 410' ' ' ILE . 67.9 mt -81.18 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 11.9 t 62.05 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.49 105.56 9.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -56.92 99.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.27 164.17 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t 40.2 39.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.5 p -136.43 100.69 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.4 -59.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.07 151.99 0.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.984 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -145.71 118.07 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -177.19 108.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -170.2 153.59 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -156.81 176.36 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 64.57 138.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 30.9 p -130.15 152.7 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -178.21 174.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.9 m 62.31 108.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.96 21.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -2.29 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.4 154.71 45.35 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -177.67 3.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -88.21 167.73 13.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 110.82 93.69 2.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 374' ' ' LEU . 50.5 m 39.42 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -139.37 -44.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.78 -37.98 21.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -52.94 -40.16 63.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.413 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.4 mp -68.46 -44.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 377' ' ' LEU . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.456 HG11 ' CD1' ' A' ' 384' ' ' LEU . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.456 ' CD1' HG11 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.583 ' CE2' ' NE ' ' A' ' 396' ' ' ARG . 27.1 t80 -43.0 -57.47 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -47.89 -37.74 14.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -27.38 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 52.8 t -75.8 -22.78 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.583 ' NE ' ' CE2' ' A' ' 392' ' ' PHE . 0.0 OUTLIER -118.47 110.77 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 6.3 t -51.56 163.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 399' ' ' HIS . 0.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' ARG . 1.0 OUTLIER 84.26 93.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 0.1 OUTLIER 171.63 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -69.59 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -146.22 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -140.58 87.62 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.07 54.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 400' ' ' ARG . 1.3 mm-40 -134.57 -53.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -145.3 17.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 411' ' ' LYS . 2.0 mmm -43.46 -52.37 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 69.5 m -42.2 -37.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -84.55 -43.23 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.76 -12.29 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 0.5 OUTLIER -71.33 -60.3 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -69.71 -42.04 74.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.442 ' CD1' HD23 ' A' ' 414' ' ' LEU . 1.5 tm? -40.38 -46.2 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 413' ' ' LEU . 10.9 mt -80.1 -41.49 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.9 t -46.42 -24.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.06 -24.26 13.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 414' ' ' LEU . 0.7 OUTLIER -82.19 148.62 28.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.23 71.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.9 t -101.68 150.61 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 t -153.9 -64.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 50.64 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.2 t -86.11 148.01 46.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.34 21.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -40.07 126.83 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.27 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 1.1 t80 179.15 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -141.1 -82.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.42 71.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.4 m -129.42 132.26 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.91 172.84 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.26 160.43 48.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -2.22 34.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 156.9 42.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 121.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 148.77 -90.44 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.457 ' OG ' ' CD2' ' A' ' 374' ' ' LEU . 0.4 OUTLIER -73.56 90.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -44.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -82.17 -39.16 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.457 ' CD2' ' OG ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -49.45 -35.81 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.3 mp -77.85 -41.04 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 380' ' ' VAL . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.466 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.56 -40.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.551 ' CE1' ' NH2' ' A' ' 396' ' ' ARG . 3.4 m-30 -68.92 70.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.5 t -174.64 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.8 t -70.26 -47.31 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.551 ' NH2' ' CE1' ' A' ' 393' ' ' PHE . 56.3 mtm180 -43.39 -58.57 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 67.0 m 65.54 136.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 161.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 408' ' ' SER . 0.3 OUTLIER -51.93 172.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 3.9 mtm105 -164.99 -92.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.7 -92.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 400' ' ' ARG . 71.8 mtt180 -104.02 165.33 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 402' ' ' ARG . 0.4 OUTLIER -38.67 97.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 402' ' ' ARG . . . 169.56 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.53 -51.35 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.81 -32.4 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.458 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -64.32 -18.33 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.526 ' CB ' ' CE1' ' A' ' 399' ' ' HIS . 0.3 OUTLIER -59.88 -51.67 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' ILE . 5.4 mt-30 -69.12 -52.28 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.466 ' CG1' HD13 ' A' ' 414' ' ' LEU . 0.4 OUTLIER -40.48 -49.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.458 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -37.11 -66.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.437 ' N ' ' HD3' ' A' ' 412' ' ' ARG . 1.4 mpp_? -73.79 -47.96 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.51 -29.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 410' ' ' ILE . 13.6 mt -104.11 -47.74 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 82.14 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -12.07 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 41.46 73.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 -49.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.6 t -93.52 -33.26 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 24.3 p -111.99 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 422' ' ' SER . 67.9 tp60 -170.77 152.02 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 421' ' ' GLN . 2.6 t -38.73 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.7 88.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 162.39 17.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -159.85 122.68 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -126.89 -169.26 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -44.05 -58.73 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m 61.37 136.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.18 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.28 153.64 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -5.71 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.9 m -74.68 157.93 85.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 117.05 4.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -154.51 132.0 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 63.67 -144.77 49.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 374' ' ' LEU . 14.9 m -47.34 -54.65 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -25.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -89.1 -47.58 8.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -44.63 -41.59 6.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.1 -46.97 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 377' ' ' LEU . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 384' ' ' LEU . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.436 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 394' ' ' SER . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.512 ' CZ ' ' NE ' ' A' ' 396' ' ' ARG . 26.1 t80 -44.11 -50.85 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.94 -26.64 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 391' ' ' ILE . 15.2 m -88.55 15.76 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 73.4 t -146.16 -84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.512 ' NE ' ' CZ ' ' A' ' 392' ' ' PHE . 0.2 OUTLIER 62.6 113.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 396' ' ' ARG . 3.8 m 38.83 -153.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 399' ' ' HIS . 9.9 ptp180 -137.78 -175.08 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.408 ' CG ' ' HG3' ' A' ' 398' ' ' ARG . 31.2 m170 52.43 77.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 400' ' ' ARG . 28.7 mtm105 62.48 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 38.76 30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 400' ' ' ARG . 6.0 mtt180 62.74 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 404' ' ' ALA . 49.4 mm-40 64.67 37.95 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 403' ' ' GLN . . . 168.78 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.69 -55.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -92.54 -35.16 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.7 mmm -60.91 -55.42 33.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.2 m -40.09 -46.44 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -59.14 -48.83 80.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.505 ' CG2' ' CD1' ' A' ' 414' ' ' LEU . 1.3 mp -66.58 -35.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 410' ' ' ILE . 1.1 ttpp -39.56 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -52.42 61.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 414' ' ' LEU . 1.7 tm? -40.05 -51.0 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.505 ' CD1' ' CG2' ' A' ' 410' ' ' ILE . 12.5 mt -76.48 -70.28 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m 40.14 42.02 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.11 -7.62 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -98.54 167.34 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 141.81 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 11.8 t -104.68 123.59 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.32 163.33 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -67.28 134.62 51.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 13.5 p -171.92 151.23 2.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 58.6 m170 54.19 175.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.44 161.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.02 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -172.78 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.18 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 14.6 t -158.41 163.45 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -143.55 137.04 28.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.93 157.17 11.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.26 25.24 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -2.27 58.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.45 160.41 31.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.1 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 0.0 OUTLIER 50.45 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -79.24 -100.41 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.482 ' C ' ' CD1' ' A' ' 375' ' ' ILE . 1.8 m 51.94 63.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -44.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -84.5 -38.12 20.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -55.71 -42.74 75.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.5 mp -60.39 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 379' ' ' GLY . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 377' ' ' LEU . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -50.23 -44.24 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -29.56 68.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 48.0 t -79.83 -64.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 396' ' ' ARG . 9.9 p -41.15 -49.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.424 ' N ' ' CG1' ' A' ' 395' ' ' VAL . 9.3 mtp-105 -51.95 -57.23 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 400' ' ' ARG . 3.5 m -71.24 178.15 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 399' ' ' HIS . 0.9 OUTLIER -78.54 80.77 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 40.16 44.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.453 ' HD2' ' CB ' ' A' ' 397' ' ' SER . 25.9 mtt180 -69.45 63.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 399' ' ' HIS . 11.1 ttt180 177.96 58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 403' ' ' GLN . 1.2 pp0? -168.36 55.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . 177.49 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -142.48 -61.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -40.89 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 26.7 mmm -51.54 -49.5 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.7 t -52.03 -21.22 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -99.23 -51.26 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.422 ' CG2' HD12 ' A' ' 414' ' ' LEU . 1.7 mp -49.93 -51.29 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.72 -46.18 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -80.54 -47.76 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.18 -48.4 34.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 417' ' ' LYS . 57.9 mt -80.68 -61.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 416' ' ' GLU . 6.2 t 39.4 48.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 415' ' ' SER . 0.3 OUTLIER 84.79 -43.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 414' ' ' LEU . 33.1 mttt -145.77 -72.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.5 t -68.26 157.63 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.14 86.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 1.8 pt20 -160.8 118.75 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 17.0 t -38.62 99.22 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.72 5.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.35 117.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.586 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -160.9 91.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.83 170.33 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -172.81 -61.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.94 101.49 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m -99.37 123.63 43.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -165.7 144.66 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.93 153.01 45.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.48 31.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -2.33 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.34 155.61 44.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.69 34.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 -120.99 133.38 55.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -56.98 165.95 5.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 374' ' ' LEU . 39.9 m -77.88 -47.62 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -26.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -85.7 -33.0 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.485 ' CD1' ' C ' ' A' ' 374' ' ' LEU . 0.2 OUTLIER -57.47 -49.13 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 374' ' ' LEU . 2.6 mp -55.43 -50.92 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 379' ' ' GLY . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 396' ' ' ARG . 23.8 t80 -42.94 -52.89 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.555 ' CE1' HD13 ' A' ' 389' ' ' LEU . 2.9 m-30 -43.16 -33.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -45.66 31.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 396' ' ' ARG . 73.2 t -75.36 -91.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.482 ' NH2' ' NH1' ' A' ' 398' ' ' ARG . 4.0 mtm180 59.09 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 87.18 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.482 ' NH1' ' NH2' ' A' ' 396' ' ' ARG . 0.0 OUTLIER -42.44 148.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 402' ' ' ARG . 2.3 t-160 -162.7 95.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.421 ' N ' ' HG2' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -67.21 -76.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -31.89 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 399' ' ' HIS . 1.6 mtt85 -143.75 -46.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER 168.57 116.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 403' ' ' GLN . . . 161.67 -77.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 400' ' ' ARG . 1.9 mt-10 63.92 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 404' ' ' ALA . 57.0 mtt180 -101.26 -47.82 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -50.83 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 34.0 t -47.47 -45.94 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 406' ' ' ARG . 1.5 mm-40 -64.12 -34.36 77.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.16 -11.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -59.33 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.241 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 414' ' ' LEU . 2.6 tm? -53.18 -53.89 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.416 ' N ' HD13 ' A' ' 413' ' ' LEU . 5.1 mt -79.86 -61.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.1 t 40.3 31.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.47 170.25 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.94 116.97 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -167.22 151.57 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.9 t -90.26 148.74 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 10.5 p -101.41 141.55 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.55 -55.46 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 150.36 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 29.2 m170 65.53 126.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -52.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.46 155.17 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -144.62 175.37 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.64 151.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 10.9 p -129.54 -52.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.5 m170 64.65 147.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.98 163.98 45.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -2.1 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.89 135.46 27.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.67 10.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -41.65 155.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -107.44 -145.97 12.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.425 ' C ' ' CD1' ' A' ' 375' ' ' ILE . 36.5 m 54.32 69.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.21 -44.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.95 -37.77 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -53.48 -41.23 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.6 mp -65.41 -48.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 379' ' ' GLY . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.442 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.471 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.417 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 55.1 t80 -49.97 -33.14 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.434 ' CD1' HD12 ' A' ' 389' ' ' LEU . 3.3 m-85 -81.31 71.22 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.2 t -174.22 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.5 t -45.62 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.417 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 2.7 mtt-85 -39.34 -61.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 23.6 m -138.72 105.74 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.32 -176.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 400' ' ' ARG . 2.5 p-80 -94.29 43.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.504 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -37.9 -46.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 52.37 20.66 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.67 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 404' ' ' ALA . 15.7 pt20 -116.54 91.93 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 403' ' ' GLN . . . 163.22 64.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.504 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 5.0 mm-40 -140.35 -52.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -25.25 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.457 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 1.5 mmm -57.57 -45.27 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.6 m -41.05 -48.25 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.72 -54.74 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 414' ' ' LEU . 1.2 mp -52.22 -32.46 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.4 OUTLIER -48.65 -64.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -58.07 -39.4 78.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 414' ' ' LEU . 2.7 tm? -53.87 -54.71 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.51 ' CD1' ' CG2' ' A' ' 410' ' ' ILE . 7.1 mt -73.78 -61.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 411' ' ' LYS . 39.0 t 66.93 -68.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 34.9 mt-10 -118.34 168.26 10.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 57.33 163.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp 54.68 170.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 t -156.72 -46.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.73 169.03 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.2 163.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 20.9 m -85.2 152.38 58.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 425' ' ' ARG . 0.7 OUTLIER -164.41 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 427' ' ' GLN . 12.4 ptm180 42.84 30.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 426' ' ' PHE . 0.0 OUTLIER -56.65 83.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 425' ' ' ARG . 15.6 pm0 37.31 -149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -74.22 -55.13 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 4.7 m 62.93 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -102.96 136.32 43.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 175.3 150.35 0.28 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.26 20.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -5.97 25.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.97 157.17 87.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.42 24.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 140.25 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -93.15 61.21 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 11.1 t -152.08 -68.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -21.96 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -86.7 -44.78 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -44.05 -45.24 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp -64.96 -46.28 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 377' ' ' LEU . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.459 HG12 ' CD1' ' A' ' 384' ' ' LEU . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.405 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.48 -38.09 71.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.2 m-85 -79.26 -19.39 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -41.41 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.7 -52.0 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -41.35 -51.2 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 93.9 p -117.27 116.03 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -71.2 -54.52 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -40.56 145.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 10.6 mtm180 -53.62 -19.53 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 402' ' ' ARG . 7.0 ttt180 76.46 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 164.35 119.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 402' ' ' ARG . 17.5 pt20 35.37 73.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.59 -106.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 4.8 mm-40 38.93 -97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -135.4 48.39 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 408' ' ' SER . 1.1 tpt -113.98 138.65 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.37 -8.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 9.3 pt20 -103.96 -46.75 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.498 ' N ' ' CG ' ' A' ' 409' ' ' GLN . 0.4 OUTLIER -84.29 -35.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 413' ' ' LEU . 12.5 mmt180 -55.66 -52.28 64.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 413' ' ' LEU . 0.9 OUTLIER -39.29 -49.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 410' ' ' ILE . 26.7 mt -77.81 -66.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 p 70.32 121.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 151.73 22.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -120.95 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 419' ' ' THR . 4.0 tttt -58.84 155.96 12.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 418' ' ' LYS . 73.1 p 37.35 -155.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.05 85.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 167.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 6.6 t -144.64 146.96 34.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 140.71 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -127.83 -68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.86 155.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -145.83 65.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 70.1 -66.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 430' ' ' HIS . 0.0 OUTLIER -68.81 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 98.3 m 64.84 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 428' ' ' LYS . 28.1 t60 -41.08 -61.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.31 150.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.77 36.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -2.38 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.99 158.5 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.56 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -100.56 179.56 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 92.67 -155.71 22.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 84.2 p -84.02 74.88 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -45.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.85 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.3 OUTLIER -55.38 -44.76 76.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.407 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.5 mp -61.65 -48.92 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.451 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -44.11 -44.1 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.3 m-85 -62.78 -41.27 99.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.68 53.69 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -149.03 -59.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -52.32 -53.77 40.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 89.7 p -39.56 145.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -44.38 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.86 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -126.23 -59.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 73.96 -68.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 403' ' ' GLN . 0.0 OUTLIER 166.28 138.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 402' ' ' ARG . 32.7 mt-30 39.06 58.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -155.88 -102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 404' ' ' ALA . 3.3 mp0 57.78 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 404' ' ' ALA . 24.2 ptt180 -137.58 54.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.413 ' C ' ' CE ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -137.88 -66.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.008 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.23 -39.4 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -65.73 -46.84 77.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 414' ' ' LEU . 1.1 mp -56.86 -33.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 415' ' ' SER . 0.0 OUTLIER -48.74 -60.65 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -61.25 -42.83 99.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 414' ' ' LEU . 2.5 tm? -49.48 -53.64 22.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 410' ' ' ILE . 7.4 mt -76.76 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' LYS . 29.6 t 59.93 117.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -117.0 143.29 45.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -107.59 109.23 20.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? 46.18 -166.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 4.6 t -48.73 -51.48 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 60.49 166.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 165.17 15.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.37 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.36 38.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -66.3 157.64 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.569 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -120.61 146.81 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -162.08 72.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 159.76 41.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 5.2 m 61.73 132.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.11 151.17 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.16 152.5 0.35 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 433' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.95 36.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.9 -2.13 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.77 143.0 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 367' ' ' VAL . 18.5 Cg_endo -75.03 109.78 2.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.27 162.43 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -109.22 62.14 0.29 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 374' ' ' LEU . 5.3 p -172.21 -50.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -25.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -87.72 -37.65 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.75 -46.7 70.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.7 mp -57.58 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . 0.496 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . 0.496 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -41.13 -46.75 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -54.35 -49.35 69.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 395' ' ' VAL . 0.2 OUTLIER -90.66 65.68 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 394' ' ' SER . 3.3 t -163.19 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 396' ' ' ARG . 30.0 mtm105 -48.41 -52.94 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.8 135.03 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.83 133.13 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . 0.409 ' C ' ' OE1' ' A' ' 405' ' ' GLU . 0.1 OUTLIER 60.35 150.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 3.1 mtp-105 -89.34 -173.93 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -22.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 404' ' ' ALA . 3.9 mtt180 -156.0 138.57 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 404' ' ' ALA . 1.3 pt20 -37.5 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 403' ' ' GLN . . . 162.54 89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 400' ' ' ARG . 53.7 mt-10 -124.24 -63.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.11 -44.27 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -55.66 -19.27 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 407' ' ' MET . 0.5 OUTLIER -62.25 -46.19 89.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 8.9 pt20 -72.63 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.465 ' N ' ' CG ' ' A' ' 409' ' ' GLN . 0.4 OUTLIER -56.89 -36.33 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.451 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -39.44 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 413' ' ' LEU . 7.0 mmt180 -54.85 -53.33 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 413' ' ' LEU . 1.0 OUTLIER -39.48 -47.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 410' ' ' ILE . 10.8 mt -75.15 -74.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 416' ' ' GLU . 36.4 m 38.99 58.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 415' ' ' SER . 0.1 OUTLIER 173.87 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 93.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 124.47 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.7 t -41.7 146.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 421' ' ' GLN . 0.7 OUTLIER -150.63 114.11 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 420' ' ' SER . 1.6 tt0 -39.02 141.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.3 t -39.72 146.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.58 2.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -40.07 145.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 68.55 110.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.1 7.19 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 52.88 173.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.33 171.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 3.7 m -155.39 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 64.89 170.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.86 158.38 52.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -2.21 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.21 45.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -174.1 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -106.36 166.09 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 139.82 -48.96 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 372' ' ' MET . 34.2 m -155.13 163.02 40.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.499 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.7 OUTLIER 81.25 -49.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -81.98 -37.88 25.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.61 -39.32 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.99 -30.87 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 372' ' ' MET . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 377' ' ' LEU . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.565 HD11 ' CD1' ' A' ' 393' ' ' PHE . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 394' ' ' SER . 26.2 t80 -47.75 -43.35 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.565 ' CD1' HD11 ' A' ' 389' ' ' LEU . 0.8 OUTLIER -41.04 -42.99 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 396' ' ' ARG . 0.7 OUTLIER -82.96 -165.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 394' ' ' SER . 62.5 t 66.31 -62.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.3 mtt-85 -37.81 -37.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.4 t -49.43 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 175.3 3.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -63.19 -145.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.563 ' HG3' ' CG ' ' A' ' 405' ' ' GLU . 1.7 mpp_? 52.57 20.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' A' ' 394' ' ' SER . 0.1 OUTLIER -74.45 -2.9 27.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 65.69 -99.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.08 -81.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.563 ' CG ' ' HG3' ' A' ' 400' ' ' ARG . 2.9 mm-40 65.08 -82.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -60.04 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -37.8 -33.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -62.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.415 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 6.2 pt20 -55.07 -41.59 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.465 ' CG2' ' CD1' ' A' ' 414' ' ' LEU . 1.1 mp -58.44 -41.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.0 OUTLIER -40.29 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -79.08 -45.54 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -50.11 -40.28 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.465 ' CD1' ' CG2' ' A' ' 410' ' ' ILE . 5.5 mt -79.81 -73.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 18.8 m 41.29 73.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.29 167.19 11.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -112.78 -34.44 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -40.67 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 69.0 p 46.97 87.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 m -42.97 -49.27 5.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.053 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 55.39 177.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.65 80.98 0.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -174.64 153.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.61 167.49 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.89 139.39 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -150.74 172.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 68.11 177.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 19.2 m 60.66 95.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -148.51 174.72 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.7 p -117.58 116.45 36.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -85.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.21 29.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -2.11 58.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -146.36 142.94 18.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 367' ' ' VAL . 18.3 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 368' ' ' PRO . 21.5 mmt180 36.23 88.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -161.83 -160.5 10.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 372' ' ' MET . 23.6 p -50.98 144.11 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 85.34 -36.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.88 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 375' ' ' ILE . 1.0 OUTLIER -48.68 -39.56 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.471 ' CD1' HD22 ' A' ' 374' ' ' LEU . 2.5 mp -69.66 -46.46 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 377' ' ' LEU . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.606 HD13 ' CZ ' ' A' ' 393' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . 0.419 ' HA2' ' CD2' ' A' ' 393' ' ' PHE . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 7.5 t80 -65.65 -37.47 86.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.606 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 48.3 m-85 -36.11 -42.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.6 t -68.22 -49.97 57.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 44.9 t -60.4 -47.45 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 0.2 OUTLIER -77.67 56.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 398' ' ' ARG . 0.5 OUTLIER 61.57 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 397' ' ' SER . 0.0 OUTLIER 160.81 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.67 66.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 48.14 85.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -66.6 -59.31 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.2 170.81 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.68 68.98 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -162.96 72.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.94 -57.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -82.92 -33.5 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 407' ' ' MET . 1.1 tpt -51.81 -70.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -38.43 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 4.3 mm-40 -83.41 -63.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 411' ' ' LYS . 1.0 OUTLIER -50.48 -46.43 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 415' ' ' SER . 4.6 tttp -39.9 -54.17 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -66.16 -40.93 90.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -53.59 -47.99 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.86 -64.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 411' ' ' LYS . 18.4 t 60.71 117.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.66 157.56 33.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.92 175.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -46.37 -29.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.83 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.68 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 59.08 96.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 28.3 t 177.55 148.46 0.34 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.11 21.13 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.34 157.89 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -31.12 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.52 152.62 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 428' ' ' LYS . 31.6 tp60 -177.61 130.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 429' ' ' THR . 0.0 OUTLIER 44.36 -167.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 428' ' ' LYS . 7.0 m -43.26 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -171.35 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 4.3 t -75.08 148.25 84.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.03 36.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -2.02 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . 0.466 ' CG2' ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.83 142.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.96 178.11 7.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -50.13 101.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -151.53 -134.42 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 36.7 m 67.17 130.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.599 ' O ' ' CB ' ' A' ' 373' ' ' ALA . 1.9 ttt 72.58 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 372' ' ' MET . . . 91.83 -24.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -29.44 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 4.3 mp -77.52 -45.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 381' ' ' ALA . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . 0.52 ' CD1' ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.64 -44.45 18.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.43 ' CD1' HD12 ' A' ' 389' ' ' LEU . 3.4 m-85 -61.98 -39.41 92.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 2.5 m -66.16 -59.56 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.1 t -45.73 -56.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -61.27 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 7.4 t 72.78 -69.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.74 131.47 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -89.72 -110.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 402' ' ' ARG . 47.5 mtm180 -39.0 122.49 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -28.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 400' ' ' ARG . 1.4 mtt180 -151.5 -70.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 403' ' ' GLN . 0.8 OUTLIER -177.09 66.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . 171.01 -82.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.87 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.1 OUTLIER -167.89 55.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.469 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 0.5 OUTLIER -111.01 -68.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 36.5 t -50.99 -28.58 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -58.27 -66.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.496 ' CG2' ' N ' ' A' ' 411' ' ' LYS . 3.3 tt -46.9 -52.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.496 ' N ' ' CG2' ' A' ' 410' ' ' ILE . 0.2 OUTLIER -40.41 -54.53 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 413' ' ' LEU . 19.8 mmt-85 -68.72 -52.67 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -40.2 -47.2 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 416' ' ' GLU . 10.9 mt -79.84 -41.92 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.4 t -39.13 -30.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 414' ' ' LEU . 37.3 mm-40 -138.51 178.48 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -113.13 -59.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -115.38 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 15.3 t -171.06 165.39 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 79.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.11 172.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.42 75.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -172.31 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.32 124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -175.45 142.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -39.07 150.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 151.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.1 p -128.13 -176.84 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -60.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -47.11 109.91 1.17 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -6.08 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 6.0 m -73.76 154.75 89.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.87 32.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -156.09 145.48 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -38.01 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 372' ' ' MET . 14.4 p -54.0 -172.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 77.86 -53.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -77.64 -22.16 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.3 OUTLIER -63.17 -37.37 86.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.8 mp -76.91 -43.28 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 396' ' ' ARG . 11.1 t80 -50.55 -58.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . 0.423 ' CD1' HD12 ' A' ' 389' ' ' LEU . 3.7 m-30 -48.62 -37.19 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -53.08 60.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 396' ' ' ARG . 33.6 t -68.97 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . 0.479 ' HD3' ' CZ ' ' A' ' 392' ' ' PHE . 4.8 mtm180 37.5 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 68.9 p -41.22 -62.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -175.01 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.18 151.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 402' ' ' ARG . 0.1 OUTLIER -47.76 -32.17 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.85 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 400' ' ' ARG . 3.2 mpp_? -124.08 -172.96 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -75.74 107.77 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -179.92 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . 0.428 ' HG3' ' CG ' ' A' ' 400' ' ' ARG . 2.0 mm-40 44.58 -95.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 404' ' ' ALA . 18.6 ttt85 -72.91 -49.96 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 409' ' ' GLN . 0.1 OUTLIER -61.95 174.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 412' ' ' ARG . 1.9 t 69.67 -59.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.053 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 1.3 tt0 -68.79 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 414' ' ' LEU . 0.8 OUTLIER -39.25 -50.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 410' ' ' ILE . 0.7 OUTLIER -37.33 -65.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -72.96 -47.38 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' A' ' 410' ' ' ILE . 0.1 OUTLIER -39.28 -54.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 410' ' ' ILE . 10.0 mt -72.05 -42.18 66.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 414' ' ' LEU . 15.7 t -38.56 -72.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -95.24 20.76 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.09 89.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 413' ' ' LEU . 3.6 tmtt? -65.24 135.25 55.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 47.9 p -47.9 110.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.1 t -177.42 75.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 41.81 -161.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.95 150.39 60.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.79 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.74 82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 175.09 85.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.63 124.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -134.5 -96.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.61 85.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -70.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.4 m170 41.02 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.84 150.48 0.29 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.16 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.77 -2.29 56.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.4 156.02 43.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.2 Cg_endo -75.02 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 2.7 ttt180 38.41 90.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 167.28 98.52 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 372' ' ' MET . 49.5 m 60.94 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.4 OUTLIER 81.47 -49.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.02 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 375' ' ' ILE . 0.4 OUTLIER -52.2 -38.3 57.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' ILE . . . . . 0.405 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -77.47 -32.43 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 377' ' ' LEU . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' PHE . . . . . 0.441 ' HA ' ' CD2' ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -37.79 -56.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.94 -47.32 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -55.58 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.9 -45.7 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -60.09 89.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.56 129.24 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 116.11 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -92.9 126.99 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.584 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -38.89 135.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 402' ' ' ARG . 5.7 tpt180 -146.28 90.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ARG . . . . . 0.627 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER 158.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 2.3 pt20 96.06 4.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -125.98 -92.26 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.66 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -95.13 -38.73 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 8.8 mmm -54.09 -49.3 69.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 4.0 t -52.13 -21.17 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.89 -51.18 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 414' ' ' LEU . 4.5 mt -48.6 -49.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.8 OUTLIER -37.47 -35.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 410' ' ' ILE . 11.3 mmt-85 -86.31 -48.83 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 414' ' ' LEU . 2.0 tm? -43.58 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 410' ' ' ILE . 0.6 OUTLIER -103.03 -48.82 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.1 m -124.79 83.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.58 -22.85 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.55 142.6 58.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -70.67 154.66 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 418' ' ' LYS . 2.0 p 38.26 77.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.3 -65.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -91.05 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 154.77 81.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -168.97 175.97 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -59.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.7 t80 53.25 173.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -122.62 -178.38 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 146.41 30.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 21.4 m -143.08 134.84 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.46 172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.28 119.22 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 380' ' ' VAL . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.733 ' C ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.547 ' HA ' HD23 ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 383' ' ' LEU . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 380' ' ' VAL . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 376' ' ' VAL . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.604 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.594 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.604 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 380' ' ' VAL . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 383' ' ' LEU . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.629 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.55 ' HA ' HD23 ' A' ' 389' ' ' LEU . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 380' ' ' VAL . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 376' ' ' VAL . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 389' ' ' LEU . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.757 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 390' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 380' ' ' VAL . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.774 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 380' ' ' VAL . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.623 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.769 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 380' ' ' VAL . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.762 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 390' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 379' ' ' GLY . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 384' ' ' LEU . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.651 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 380' ' ' VAL . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 376' ' ' VAL . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 387' ' ' ILE . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.555 ' HA ' HD23 ' A' ' 389' ' ' LEU . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 379' ' ' GLY . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.632 ' HA ' HD23 ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 391' ' ' ILE . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 380' ' ' VAL . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.548 ' HA ' HD23 ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 390' ' ' GLY . . . . . 0.495 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 378' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 381' ' ' ALA . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' A' ' 384' ' ' LEU . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 378' ' ' GLY . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.406 ' HG ' HG13 ' A' ' 380' ' ' VAL . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.653 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 391' ' ' ILE . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.598 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 384' ' ' LEU . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.621 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 380' ' ' VAL . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 376' ' ' VAL . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.597 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 387' ' ' ILE . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.413 ' HG ' HG13 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 392' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 392' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 389' ' ' LEU . 7.5 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 380' ' ' VAL . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 376' ' ' VAL . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.603 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.557 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.737 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 376' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 380' ' ' VAL . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 376' ' ' VAL . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.491 ' HA ' HD23 ' A' ' 389' ' ' LEU . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 380' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 383' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 386' ' ' PHE . . . . . 0.685 ' HA ' HD23 ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 387' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.24 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 154.67 45.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.16 129.88 36.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -77.43 -174.17 40.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 372' ' ' MET . 7.8 m 60.57 157.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.432 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 76.81 -54.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.96 -23.39 44.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 374' ' ' LEU . 0.2 OUTLIER -63.45 -48.56 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 375' ' ' ILE . 2.1 mp -66.74 -44.85 89.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 380' ' ' VAL . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.733 ' C ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.547 ' HA ' HD23 ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 383' ' ' LEU . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -41.16 -45.25 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.6 m-30 -62.12 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 51.58 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 36.9 t -144.19 -65.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -44.05 -56.6 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 4.8 m -122.92 168.15 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -72.3 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.31 61.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.598 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.496 ' CD ' ' CD ' ' A' ' 405' ' ' GLU . 7.2 mtm105 -95.85 89.78 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 88.65 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.31 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -140.99 73.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.496 ' CD ' ' CD ' ' A' ' 400' ' ' ARG . 2.5 mm-40 45.96 -94.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 404' ' ' ALA . 41.4 mtm180 -152.73 42.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 407' ' ' MET . 1.0 OUTLIER -117.4 145.91 43.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.79 -48.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.63 -37.46 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.437 HG23 HD11 ' A' ' 414' ' ' LEU . 0.9 OUTLIER -85.62 -34.05 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -47.05 -61.18 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 413' ' ' LEU . 20.5 mmt-85 -61.22 -51.51 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.6 tm? -40.08 -47.86 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 413' ' ' LEU . 12.1 mt -81.37 -42.83 19.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 414' ' ' LEU . 5.3 t -39.0 -30.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 414' ' ' LEU . 2.4 tt0 -124.53 108.31 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -59.31 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -99.07 152.73 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 32.9 p -60.53 177.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.68 110.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -39.24 146.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 18.3 p -165.84 158.15 12.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.28 -63.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 115.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 427' ' ' GLN . 0.1 OUTLIER -87.24 92.25 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 426' ' ' PHE . 0.0 OUTLIER 40.71 -161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -78.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 429' ' ' THR . 1.0 OUTLIER 47.57 79.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -169.28 97.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 151.07 54.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.01 36.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.75 -2.22 51.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.52 44.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 153.81 42.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -48.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 179.17 -137.02 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 374' ' ' LEU . 8.3 t -49.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.784 ' O ' HG23 ' A' ' 376' ' ' VAL . 1.4 ttm 79.77 -52.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -80.31 -29.41 38.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -56.96 -43.12 81.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.7 mp -71.27 -44.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 372' ' ' MET . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 376' ' ' VAL . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.604 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.594 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.604 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -55.97 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 2.0 m-30 -41.87 -49.83 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 69.9 m -63.35 -41.97 98.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.28 -65.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -34.7 64.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.59 118.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 65.86 138.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -76.84 155.96 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.491 ' HG2' ' CG ' ' A' ' 405' ' ' GLU . 16.1 mtp-105 63.29 42.0 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.15 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 403' ' ' GLN . 1.4 mmt180 -167.31 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 402' ' ' ARG . 6.0 mm100 38.7 65.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.49 -67.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.491 ' CG ' ' HG2' ' A' ' 400' ' ' ARG . 3.5 mt-10 47.31 -94.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -93.33 -42.0 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.466 ' HE2' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -37.79 -33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 406' ' ' ARG . 18.9 t -51.83 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 11.1 pt20 -52.78 -46.25 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.837 HG13 HD23 ' A' ' 413' ' ' LEU . 1.3 mp -50.67 -49.92 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -40.34 -45.61 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -84.91 -51.24 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.837 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -40.46 -49.42 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.503 ' CD1' HG23 ' A' ' 410' ' ' ILE . 64.1 mt -78.95 -68.41 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 39.1 t 66.86 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 9.2 mt-10 -116.99 146.34 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -81.27 -62.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -164.08 170.51 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t -78.47 123.31 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.0 t -179.68 167.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -39.39 125.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.75 161.75 24.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.66 38.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -168.98 149.55 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.27 168.6 9.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.8 t80 53.84 100.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.73 63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.3 174.56 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 12.4 t -144.32 157.95 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.93 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 150.7 17.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -2.1 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 368' ' ' PRO . 0.2 OUTLIER -124.44 135.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.94 136.88 21.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -85.9 156.51 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.37 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.71 ' HA ' HD23 ' A' ' 374' ' ' LEU . 1.3 m 177.95 165.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.727 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER 80.17 -51.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -79.66 -29.38 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -54.76 -37.92 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -78.89 -41.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 372' ' ' MET . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 383' ' ' LEU . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.629 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -40.78 -61.77 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.52 -34.24 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.7 t -65.57 -51.88 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 397' ' ' SER . 70.7 t -56.01 -61.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -65.73 76.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 397' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 395' ' ' VAL . 0.3 OUTLIER -125.2 79.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.973 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 51.51 99.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -116.94 121.9 42.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.432 ' CG ' ' CD ' ' A' ' 405' ' ' GLU . 0.3 OUTLIER 41.22 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 94.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.5 -67.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -140.58 83.05 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -175.63 69.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.432 ' CD ' ' CG ' ' A' ' 400' ' ' ARG . 3.7 mm-40 -132.18 -62.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -82.98 -36.94 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.32 -47.87 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.4 t -40.67 -52.75 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.54 -58.1 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.695 HG13 HD23 ' A' ' 413' ' ' LEU . 1.9 mp -41.35 -52.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -46.69 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.43 -50.03 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -41.75 -52.57 3.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.61 ' CD1' HG23 ' A' ' 410' ' ' ILE . 20.0 mt -77.17 -65.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.38 115.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.82 -16.57 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.73 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 59.34 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.5 t -80.2 139.66 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 19.6 m -50.5 131.99 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 7.8 pt20 -156.19 139.48 15.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 96.1 p -38.75 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 421' ' ' GLN . 18.2 Cg_endo -74.99 -44.13 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 64.2 m170 43.41 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.05 138.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.22 129.89 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.34 161.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 59.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 29.0 m 63.46 139.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 431' ' ' SER . 26.3 p80 -150.83 129.9 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 430' ' ' HIS . 1.8 p -38.94 157.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 433' ' ' ILE . 2.2 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.17 29.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -2.31 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 155.35 44.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 135.48 19.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 48.53 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -94.93 124.2 7.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 374' ' ' LEU . 66.3 p 53.43 78.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.1 OUTLIER -134.82 -44.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.41 -36.84 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.3 -42.84 67.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 371' ' ' SER . 3.4 mp -66.08 -44.3 91.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.55 ' HA ' HD23 ' A' ' 389' ' ' LEU . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.402 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 1.5 t80 -40.8 -52.4 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.81 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 1.8 m -60.86 -61.28 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -45.48 -58.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 1.3 mtp-105 -58.76 -64.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.7 m 60.06 151.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 399' ' ' HIS . 9.9 mtp-105 -149.08 93.08 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 398' ' ' ARG . 1.9 m-70 -168.73 95.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.604 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 402' ' ' ARG . 1.6 mtt85 -59.83 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 47.16 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 400' ' ' ARG . 0.0 OUTLIER -107.14 -165.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.676 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -38.78 96.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 164.72 57.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 400' ' ' ARG . 1.4 mm-40 -123.51 -59.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.664 ' O ' HD12 ' A' ' 410' ' ' ILE . 1.8 ptt85 -89.65 -37.91 14.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.482 ' HE3' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -58.19 -44.89 88.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.506 ' O ' ' CE ' ' A' ' 411' ' ' LYS . 81.2 p -64.04 -11.31 28.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -113.52 -4.97 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 406' ' ' ARG . 1.0 OUTLIER -116.76 -8.73 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.428 ' C ' ' N ' ' A' ' 414' ' ' LEU . 0.4 OUTLIER -94.86 -50.14 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.639 HD13 HD23 ' A' ' 414' ' ' LEU . 1.5 tm? -39.84 -30.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.639 HD23 HD13 ' A' ' 413' ' ' LEU . 9.7 mt -100.21 -62.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 25.0 t 60.77 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 135.21 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -46.0 122.61 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -149.76 177.29 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.3 t -100.15 151.5 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 21.0 p -169.99 -59.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? 61.38 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.6 t -161.38 149.01 12.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -123.96 60.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -153.45 148.19 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.14 100.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 429' ' ' THR . 0.1 OUTLIER -104.06 171.1 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 429' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 427' ' ' GLN . 16.7 m 46.86 88.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.453 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 84.73 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 158.49 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.37 20.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -2.28 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.36 155.75 44.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 369' ' ' ARG . 18.4 Cg_endo -74.97 176.47 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 368' ' ' PRO . 3.3 ttt85 38.32 90.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -116.51 133.48 10.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.777 ' HA ' HD23 ' A' ' 374' ' ' LEU . 0.4 OUTLIER -105.07 65.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.052 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.568 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -137.78 -44.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.476 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -84.37 -38.74 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.777 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.54 -40.04 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.454 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.4 mp -66.04 -47.92 83.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 372' ' ' MET . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 376' ' ' VAL . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 389' ' ' LEU . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.465 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 66.4 t80 -42.49 -50.03 5.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.3 m-85 -57.29 -46.3 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -58.4 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.7 t -41.43 -61.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 22.1 mtp180 -40.99 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 51.7 p -178.24 163.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -63.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 401' ' ' ARG . 17.1 p-80 -175.76 176.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 0.3 OUTLIER -38.49 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 399' ' ' HIS . 1.5 mtp180 -171.75 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.502 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER -138.51 -56.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 18.8 mt-30 -165.8 84.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -168.35 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 406' ' ' ARG . 1.6 mt-10 64.01 11.66 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 405' ' ' GLU . 4.5 ttp85 84.75 29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.47 ' CE ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -86.47 -19.75 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 407' ' ' MET . 90.2 p -67.12 -45.59 76.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.95 -36.93 67.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.788 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -65.76 -35.82 76.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.47 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.7 OUTLIER -39.77 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 413' ' ' LEU . 9.4 mmt180 -54.94 -53.44 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -39.33 -47.09 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.605 HD23 ' CD1' ' A' ' 413' ' ' LEU . 32.4 mt -76.99 -67.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 30.4 t 60.16 118.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.3 158.31 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 137.72 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.37 166.38 23.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.2 p -105.71 90.39 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 103.9 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -143.74 -54.23 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.3 m 47.89 87.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.61 42.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.69 174.11 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 61.36 124.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -169.05 -52.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.58 167.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.71 89.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 38.5 m -113.57 143.23 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 431' ' ' SER . 0.8 OUTLIER 63.04 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.569 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 431' ' ' SER . . . . . 0.593 ' O ' ' CE1' ' A' ' 430' ' ' HIS . 18.1 m -87.89 150.64 48.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -5.63 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.7 m -75.08 154.91 86.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.97 94.85 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 144.04 -105.92 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 374' ' ' LEU . 53.6 m -58.86 175.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 109.968 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 76.04 -55.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.31 -21.32 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -63.6 -44.5 93.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.4 mp -69.95 -44.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 390' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.4 -36.86 79.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.4 m-85 -81.29 -19.7 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 39.8 t -69.92 -35.12 74.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.91 -21.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -92.69 -152.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 53.9 p -110.01 112.72 24.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.9 79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 174.09 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 405' ' ' GLU . 0.0 OUTLIER 65.25 113.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 4.3 mpp_? -107.2 65.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.77 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -119.2 80.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.02 71.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 400' ' ' ARG . 4.9 mm-40 -140.88 -56.88 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 410' ' ' ILE . 12.0 ttt85 -85.46 -35.0 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -52.47 40.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 6.2 t -39.95 -60.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.55 -52.01 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 413' ' ' LEU . 1.7 mp -49.53 -41.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -47.91 -44.58 29.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -86.58 -49.12 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -41.53 -48.38 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 410' ' ' ILE . 67.9 mt -81.18 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 11.9 t 62.05 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.49 105.56 9.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -56.92 99.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.27 164.17 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t 40.2 39.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.5 p -136.43 100.69 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.4 -59.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.07 151.99 0.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.984 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -145.71 118.07 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -177.19 108.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -170.2 153.59 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -156.81 176.36 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 64.57 138.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 30.9 p -130.15 152.7 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -178.21 174.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.9 m 62.31 108.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.96 21.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -2.29 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.419 HG21 ' SD ' ' A' ' 372' ' ' MET . 0.0 OUTLIER -113.4 154.71 45.35 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -177.67 3.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -88.21 167.73 13.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 110.82 93.69 2.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.687 ' HA ' HD23 ' A' ' 374' ' ' LEU . 50.5 m 39.42 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.1 OUTLIER -139.37 -44.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.516 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.78 -37.98 21.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -52.94 -40.16 63.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.413 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.4 mp -68.46 -44.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 372' ' ' MET . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.583 ' CE2' ' NE ' ' A' ' 396' ' ' ARG . 27.1 t80 -43.0 -57.47 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 389' ' ' LEU . 3.7 m-30 -47.89 -37.74 14.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -27.38 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 52.8 t -75.8 -22.78 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.583 ' NE ' ' CE2' ' A' ' 392' ' ' PHE . 0.0 OUTLIER -118.47 110.77 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 6.3 t -51.56 163.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 399' ' ' HIS . 0.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' ARG . 1.0 OUTLIER 84.26 93.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 0.1 OUTLIER 171.63 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -69.59 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -146.22 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -140.58 87.62 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.07 54.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 400' ' ' ARG . 1.3 mm-40 -134.57 -53.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -145.3 17.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 411' ' ' LYS . 2.0 mmm -43.46 -52.37 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 69.5 m -42.2 -37.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -84.55 -43.23 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.76 -12.29 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 0.5 OUTLIER -71.33 -60.3 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -69.71 -42.04 74.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.58 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.5 tm? -40.38 -46.2 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 417' ' ' LYS . 10.9 mt -80.1 -41.49 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.9 t -46.42 -24.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.06 -24.26 13.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 414' ' ' LEU . 0.7 OUTLIER -82.19 148.62 28.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.23 71.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.9 t -101.68 150.61 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 t -153.9 -64.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 50.64 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.2 t -86.11 148.01 46.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.34 21.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -40.07 126.83 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.27 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 1.1 t80 179.15 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -141.1 -82.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.42 71.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.4 m -129.42 132.26 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.91 172.84 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.26 160.43 48.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -2.22 34.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 156.9 42.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 121.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 148.77 -90.44 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.742 ' HA ' HD23 ' A' ' 374' ' ' LEU . 0.4 OUTLIER -73.56 90.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -149.28 -44.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -82.17 -39.16 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -49.45 -35.81 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.3 mp -77.85 -41.04 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 372' ' ' MET . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.623 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.56 -40.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.551 ' CE1' ' NH2' ' A' ' 396' ' ' ARG . 3.4 m-30 -68.92 70.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.5 t -174.64 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.8 t -70.26 -47.31 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.551 ' NH2' ' CE1' ' A' ' 393' ' ' PHE . 56.3 mtm180 -43.39 -58.57 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 67.0 m 65.54 136.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 161.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 408' ' ' SER . 0.3 OUTLIER -51.93 172.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 3.9 mtm105 -164.99 -92.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.7 -92.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 400' ' ' ARG . 71.8 mtt180 -104.02 165.33 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.603 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.4 OUTLIER -38.67 97.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 169.56 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.53 -51.35 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.81 -32.4 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.458 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -64.32 -18.33 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.526 ' CB ' ' CE1' ' A' ' 399' ' ' HIS . 0.3 OUTLIER -59.88 -51.67 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' ILE . 5.4 mt-30 -69.12 -52.28 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -40.48 -49.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.458 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -37.11 -66.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 412' ' ' ARG . 1.4 mpp_? -73.79 -47.96 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 410' ' ' ILE . 0.3 OUTLIER -42.51 -29.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 410' ' ' ILE . 13.6 mt -104.11 -47.74 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 82.14 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -12.07 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 41.46 73.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 -49.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.6 t -93.52 -33.26 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 24.3 p -111.99 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 422' ' ' SER . 67.9 tp60 -170.77 152.02 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 421' ' ' GLN . 2.6 t -38.73 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.7 88.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 162.39 17.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -159.85 122.68 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -126.89 -169.26 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -44.05 -58.73 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m 61.37 136.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.18 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.28 153.64 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -5.71 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.9 m -74.68 157.93 85.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 117.05 4.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.468 ' N ' ' HB2' ' A' ' 373' ' ' ALA . 5.1 mmt85 -154.51 132.0 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 370' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 373' ' ' ALA . . . 63.67 -144.77 49.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.888 ' HA ' HD23 ' A' ' 374' ' ' LEU . 14.9 m -47.34 -54.65 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -25.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.539 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -89.1 -47.58 8.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.888 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -44.63 -41.59 6.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 371' ' ' SER . 2.5 mp -66.1 -46.97 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 380' ' ' VAL . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.762 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 390' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 394' ' ' SER . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.512 ' CZ ' ' NE ' ' A' ' 396' ' ' ARG . 26.1 t80 -44.11 -50.85 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.94 -26.64 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 391' ' ' ILE . 15.2 m -88.55 15.76 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 73.4 t -146.16 -84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.512 ' NE ' ' CZ ' ' A' ' 392' ' ' PHE . 0.2 OUTLIER 62.6 113.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 397' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 396' ' ' ARG . 3.8 m 38.83 -153.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 399' ' ' HIS . 9.9 ptp180 -137.78 -175.08 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.408 ' CG ' ' HG3' ' A' ' 398' ' ' ARG . 31.2 m170 52.43 77.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 400' ' ' ARG . 28.7 mtm105 62.48 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 38.76 30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 400' ' ' ARG . 6.0 mtt180 62.74 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.615 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 49.4 mm-40 64.67 37.95 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 168.78 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.69 -55.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -92.54 -35.16 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.7 mmm -60.91 -55.42 33.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.2 m -40.09 -46.44 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -59.14 -48.83 80.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.61 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.3 mp -66.58 -35.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 410' ' ' ILE . 1.1 ttpp -39.56 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -52.42 61.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.585 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.7 tm? -40.05 -51.0 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.61 HD11 ' CG2' ' A' ' 410' ' ' ILE . 12.5 mt -76.48 -70.28 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m 40.14 42.02 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.11 -7.62 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -98.54 167.34 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 141.81 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 11.8 t -104.68 123.59 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.32 163.33 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -67.28 134.62 51.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 13.5 p -171.92 151.23 2.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 58.6 m170 54.19 175.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.44 161.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.02 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -172.78 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.18 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 14.6 t -158.41 163.45 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -143.55 137.04 28.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.93 157.17 11.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.26 25.24 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -2.27 58.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.45 160.41 31.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.1 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 0.0 OUTLIER 50.45 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -79.24 -100.41 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.558 ' HA ' HD23 ' A' ' 374' ' ' LEU . 1.8 m 51.94 63.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.462 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -142.55 -44.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -84.5 -38.12 20.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -55.71 -42.74 75.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.5 mp -60.39 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 372' ' ' MET . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 384' ' ' LEU . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.651 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -50.23 -44.24 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -29.56 68.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 48.0 t -79.83 -64.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 396' ' ' ARG . 9.9 p -41.15 -49.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 395' ' ' VAL . 9.3 mtp-105 -51.95 -57.23 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 400' ' ' ARG . 3.5 m -71.24 178.15 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 399' ' ' HIS . 0.9 OUTLIER -78.54 80.77 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 40.16 44.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.452 ' HD2' ' CB ' ' A' ' 397' ' ' SER . 25.9 mtt180 -69.45 63.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 399' ' ' HIS . 11.1 ttt180 177.96 58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 403' ' ' GLN . 1.2 pp0? -168.36 55.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 177.49 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -142.48 -61.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -40.89 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 26.7 mmm -51.54 -49.5 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.7 t -52.03 -21.22 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -99.23 -51.26 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.678 HG13 HD23 ' A' ' 413' ' ' LEU . 1.7 mp -49.93 -51.29 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.72 -46.18 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -80.54 -47.76 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -48.18 -48.4 34.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' A' ' 410' ' ' ILE . 57.9 mt -80.68 -61.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 416' ' ' GLU . 6.2 t 39.4 48.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 415' ' ' SER . 0.3 OUTLIER 84.79 -43.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 414' ' ' LEU . 33.1 mttt -145.77 -72.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.5 t -68.26 157.63 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.14 86.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 1.8 pt20 -160.8 118.75 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 17.0 t -38.62 99.22 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.72 5.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.35 117.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.586 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -160.9 91.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.83 170.33 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -172.81 -61.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.94 101.49 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m -99.37 123.63 43.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -165.7 144.66 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.93 153.01 45.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.48 31.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -2.33 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.34 155.61 44.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.69 34.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 -120.99 133.38 55.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -56.98 165.95 5.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 375' ' ' ILE . 39.9 m -77.88 -47.62 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -26.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -85.7 -33.0 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 374' ' ' LEU . 0.2 OUTLIER -57.47 -49.13 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 371' ' ' SER . 2.6 mp -55.43 -50.92 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 380' ' ' VAL . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 376' ' ' VAL . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 387' ' ' ILE . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.555 ' HA ' HD23 ' A' ' 389' ' ' LEU . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 396' ' ' ARG . 23.8 t80 -42.94 -52.89 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 2.9 m-30 -43.16 -33.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -45.66 31.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 396' ' ' ARG . 73.2 t -75.36 -91.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.482 ' NH2' ' NH1' ' A' ' 398' ' ' ARG . 4.0 mtm180 59.09 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 87.18 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.482 ' NH1' ' NH2' ' A' ' 396' ' ' ARG . 0.0 OUTLIER -42.44 148.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 402' ' ' ARG . 2.3 t-160 -162.7 95.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -67.21 -76.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -31.89 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 399' ' ' HIS . 1.6 mtt85 -143.75 -46.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.715 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER 168.57 116.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 161.67 -77.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 400' ' ' ARG . 1.9 mt-10 63.92 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 404' ' ' ALA . 57.0 mtt180 -101.26 -47.82 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -50.83 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.465 ' HB2' ' HB1' ' A' ' 404' ' ' ALA . 34.0 t -47.47 -45.94 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 406' ' ' ARG . 1.5 mm-40 -64.12 -34.36 77.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.4 mp -81.16 -11.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -59.33 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.241 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.6 tm? -53.18 -53.89 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 410' ' ' ILE . 5.1 mt -79.86 -61.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.1 t 40.3 31.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.47 170.25 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.94 116.97 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -167.22 151.57 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.9 t -90.26 148.74 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 10.5 p -101.41 141.55 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.55 -55.46 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 150.36 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 29.2 m170 65.53 126.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -52.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.46 155.17 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -144.62 175.37 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.64 151.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 10.9 p -129.54 -52.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.5 m170 64.65 147.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.98 163.98 45.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -2.1 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.89 135.46 27.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.67 10.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -41.65 155.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -107.44 -145.97 12.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.764 ' HA ' HD23 ' A' ' 374' ' ' LEU . 36.5 m 54.32 69.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -137.21 -44.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.458 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.95 -37.77 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.48 -41.23 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.6 mp -65.41 -48.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 372' ' ' MET . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.632 ' HA ' HD23 ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 391' ' ' ILE . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.417 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 55.1 t80 -49.97 -33.14 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.3 m-85 -81.31 71.22 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.2 t -174.22 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.5 t -45.62 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.417 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 2.7 mtt-85 -39.34 -61.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 23.6 m -138.72 105.74 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.32 -176.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 400' ' ' ARG . 2.5 p-80 -94.29 43.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.525 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -37.9 -46.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 52.37 20.66 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.67 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.691 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 15.7 pt20 -116.54 91.93 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 163.22 64.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.525 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 5.0 mm-40 -140.35 -52.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -25.25 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.457 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 1.5 mmm -57.57 -45.27 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.6 m -41.05 -48.25 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.72 -54.74 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.2 mp -52.22 -32.46 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.4 OUTLIER -48.65 -64.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -58.07 -39.4 78.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.7 tm? -53.87 -54.71 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 410' ' ' ILE . 7.1 mt -73.78 -61.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 411' ' ' LYS . 39.0 t 66.93 -68.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 34.9 mt-10 -118.34 168.26 10.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 57.33 163.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp 54.68 170.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 t -156.72 -46.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.73 169.03 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.2 163.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 20.9 m -85.2 152.38 58.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 425' ' ' ARG . 0.7 OUTLIER -164.41 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 427' ' ' GLN . 12.4 ptm180 42.84 30.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 426' ' ' PHE . 0.0 OUTLIER -56.65 83.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 425' ' ' ARG . 15.6 pm0 37.31 -149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -74.22 -55.13 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 4.7 m 62.93 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -102.96 136.32 43.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 175.3 150.35 0.28 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 365' ' ' PRO . . . . . 0.416 ' HB2' HG22 ' A' ' 367' ' ' VAL . 18.3 Cg_endo -74.95 170.26 20.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -5.97 25.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 365' ' ' PRO . 5.2 m -73.97 157.17 87.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.42 24.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 140.25 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -93.15 61.21 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.698 ' HA ' HD23 ' A' ' 374' ' ' LEU . 11.1 t -152.08 -68.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.039 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.538 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -49.83 -21.96 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -86.7 -44.78 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -44.05 -45.24 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 371' ' ' SER . 2.5 mp -64.96 -46.28 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 372' ' ' MET . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.548 ' HA ' HD23 ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 390' ' ' GLY . . . . . 0.495 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.48 -38.09 71.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.2 m-85 -79.26 -19.39 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -41.41 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.7 -52.0 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -41.35 -51.2 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 93.9 p -117.27 116.03 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -71.2 -54.52 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -40.56 145.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.527 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 10.6 mtm180 -53.62 -19.53 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 402' ' ' ARG . 7.0 ttt180 76.46 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 164.35 119.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 402' ' ' ARG . 17.5 pt20 35.37 73.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.59 -106.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.527 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 4.8 mm-40 38.93 -97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -135.4 48.39 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 408' ' ' SER . 1.1 tpt -113.98 138.65 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.37 -8.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 9.3 pt20 -103.96 -46.75 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.763 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -84.29 -35.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 413' ' ' LEU . 12.5 mmt180 -55.66 -52.28 64.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.788 ' C ' HD13 ' A' ' 413' ' ' LEU . 0.9 OUTLIER -39.29 -49.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 413' ' ' LEU . 26.7 mt -77.81 -66.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 p 70.32 121.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 151.73 22.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -120.95 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.72 ' HD3' HG23 ' A' ' 419' ' ' THR . 4.0 tttt -58.84 155.96 12.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.72 HG23 ' HD3' ' A' ' 418' ' ' LYS . 73.1 p 37.35 -155.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.05 85.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 167.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 6.6 t -144.64 146.96 34.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 140.71 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -127.83 -68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.86 155.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -145.83 65.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 70.1 -66.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 430' ' ' HIS . 0.0 OUTLIER -68.81 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 98.3 m 64.84 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 428' ' ' LYS . 28.1 t60 -41.08 -61.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.31 150.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.77 36.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -2.38 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.99 158.5 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.56 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -100.56 179.56 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 92.67 -155.71 22.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 374' ' ' LEU . 84.2 p -84.02 74.88 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -45.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.85 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -55.38 -44.76 76.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.5 mp -61.65 -48.92 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 381' ' ' ALA . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' A' ' 384' ' ' LEU . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 378' ' ' GLY . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.406 ' HG ' HG13 ' A' ' 380' ' ' VAL . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.653 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 391' ' ' ILE . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -44.11 -44.1 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.3 m-85 -62.78 -41.27 99.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.68 53.69 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -149.03 -59.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -52.32 -53.77 40.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 89.7 p -39.56 145.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -44.38 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.86 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -126.23 -59.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 73.96 -68.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 403' ' ' GLN . 0.0 OUTLIER 166.28 138.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 402' ' ' ARG . 32.7 mt-30 39.06 58.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -155.88 -102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 404' ' ' ALA . 3.3 mp0 57.78 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 404' ' ' ALA . 24.2 ptt180 -137.58 54.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.413 ' C ' ' CE ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -137.88 -66.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.008 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.23 -39.4 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -65.73 -46.84 77.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.449 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.1 mp -56.86 -33.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 415' ' ' SER . 0.0 OUTLIER -48.74 -60.65 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -61.25 -42.83 99.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.5 tm? -49.48 -53.64 22.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 410' ' ' ILE . 7.4 mt -76.76 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' LYS . 29.6 t 59.93 117.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -117.0 143.29 45.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -107.59 109.23 20.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? 46.18 -166.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 420' ' ' SER . 4.6 t -48.73 -51.48 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' SER . . . . . 0.451 ' N ' HG23 ' A' ' 419' ' ' THR . 0.6 OUTLIER 60.49 166.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 165.17 15.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.37 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.36 38.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -66.3 157.64 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.569 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -120.61 146.81 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -162.08 72.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 159.76 41.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 5.2 m 61.73 132.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.11 151.17 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.16 152.5 0.35 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' A' ' 433' ' ' ILE . 18.2 Cg_endo -75.03 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 432' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.95 36.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.9 -2.13 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.705 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.77 143.0 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.5 Cg_endo -75.03 109.78 2.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.27 162.43 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -109.22 62.14 0.29 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 375' ' ' ILE . 5.3 p -172.21 -50.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -25.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -87.72 -37.65 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.665 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.75 -46.7 70.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 371' ' ' SER . 2.7 mp -57.58 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.598 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 384' ' ' LEU . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.621 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -41.13 -46.75 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.1 m-30 -54.35 -49.35 69.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 395' ' ' VAL . 0.2 OUTLIER -90.66 65.68 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 394' ' ' SER . 3.3 t -163.19 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 396' ' ' ARG . 30.0 mtm105 -48.41 -52.94 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.8 135.03 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.83 133.13 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 399' ' ' HIS . . . . . 0.409 ' C ' ' OE1' ' A' ' 405' ' ' GLU . 0.1 OUTLIER 60.35 150.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 3.1 mtp-105 -89.34 -173.93 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -22.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 404' ' ' ALA . 3.9 mtt180 -156.0 138.57 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.694 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 1.3 pt20 -37.5 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 162.54 89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 400' ' ' ARG . 53.7 mt-10 -124.24 -63.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.11 -44.27 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.467 ' HE3' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -55.66 -19.27 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 407' ' ' MET . 0.5 OUTLIER -62.25 -46.19 89.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 8.9 pt20 -72.63 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -56.89 -36.33 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.452 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -39.44 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 413' ' ' LEU . 7.0 mmt180 -54.85 -53.33 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.0 OUTLIER -39.48 -47.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.558 ' CG ' HD12 ' A' ' 410' ' ' ILE . 10.8 mt -75.15 -74.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 416' ' ' GLU . 36.4 m 38.99 58.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 415' ' ' SER . 0.1 OUTLIER 173.87 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 93.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 124.47 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.7 t -41.7 146.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 421' ' ' GLN . 0.7 OUTLIER -150.63 114.11 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 421' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 420' ' ' SER . 1.6 tt0 -39.02 141.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.3 t -39.72 146.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.58 2.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -40.07 145.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 68.55 110.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.1 7.19 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 52.88 173.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.33 171.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 3.7 m -155.39 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 64.89 170.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.86 158.38 52.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -2.21 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.21 45.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -174.1 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -106.36 166.09 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 139.82 -48.96 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.733 ' HA ' HD23 ' A' ' 374' ' ' LEU . 34.2 m -155.13 163.02 40.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.7 OUTLIER 81.25 -49.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.551 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -81.98 -37.88 25.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.61 -39.32 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.41 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.5 mp -75.99 -30.87 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 372' ' ' MET . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 376' ' ' VAL . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.597 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 393' ' ' PHE . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 394' ' ' SER . 26.2 t80 -47.75 -43.35 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' A' ' 389' ' ' LEU . 0.8 OUTLIER -41.04 -42.99 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 394' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 396' ' ' ARG . 0.7 OUTLIER -82.96 -165.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 394' ' ' SER . 62.5 t 66.31 -62.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.3 mtt-85 -37.81 -37.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.4 t -49.43 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 175.3 3.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -63.19 -145.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.563 ' HG3' ' CG ' ' A' ' 405' ' ' GLU . 1.7 mpp_? 52.57 20.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' A' ' 394' ' ' SER . 0.1 OUTLIER -74.45 -2.9 27.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 65.69 -99.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.08 -81.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.563 ' CG ' ' HG3' ' A' ' 400' ' ' ARG . 2.9 mm-40 65.08 -82.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -60.04 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -37.8 -33.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -62.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.553 ' HG2' HD12 ' A' ' 410' ' ' ILE . 6.2 pt20 -55.07 -41.59 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.1 mp -58.44 -41.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.0 OUTLIER -40.29 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -79.08 -45.54 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.624 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.5 tm? -50.11 -40.28 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.686 HD11 ' CG2' ' A' ' 410' ' ' ILE . 5.5 mt -79.81 -73.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 18.8 m 41.29 73.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.29 167.19 11.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -112.78 -34.44 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -40.67 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 69.0 p 46.97 87.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 m -42.97 -49.27 5.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.053 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 55.39 177.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.65 80.98 0.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -174.64 153.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.61 167.49 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.89 139.39 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -150.74 172.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 68.11 177.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 19.2 m 60.66 95.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -148.51 174.72 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.7 p -117.58 116.45 36.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -85.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.21 29.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -2.11 58.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -146.36 142.94 18.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.3 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 368' ' ' PRO . 21.5 mmt180 36.23 88.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -161.83 -160.5 10.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 372' ' ' MET . 23.6 p -50.98 144.11 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 85.34 -36.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -80.99 -41.88 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 371' ' ' SER . 1.0 OUTLIER -48.68 -39.56 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.66 -46.46 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 372' ' ' MET . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 387' ' ' ILE . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.413 ' HG ' HG13 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 393' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 390' ' ' GLY . . . . . 0.42 ' HA2' ' CD2' ' A' ' 393' ' ' PHE . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 7.5 t80 -65.65 -37.47 86.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 389' ' ' LEU . 48.3 m-85 -36.11 -42.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.6 t -68.22 -49.97 57.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 44.9 t -60.4 -47.45 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 0.2 OUTLIER -77.67 56.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 397' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 398' ' ' ARG . 0.5 OUTLIER 61.57 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 397' ' ' SER . 0.0 OUTLIER 160.81 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.67 66.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 48.14 85.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -66.6 -59.31 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.2 170.81 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.68 68.98 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -162.96 72.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.94 -57.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -82.92 -33.5 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 407' ' ' MET . 1.1 tpt -51.81 -70.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -38.43 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 4.3 mm-40 -83.41 -63.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 411' ' ' LYS . 1.0 OUTLIER -50.48 -46.43 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 415' ' ' SER . 4.6 tttp -39.9 -54.17 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -66.16 -40.93 90.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.6 tm? -53.59 -47.99 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 413' ' ' LEU . 7.6 mt -80.86 -64.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 411' ' ' LYS . 18.4 t 60.71 117.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.66 157.56 33.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.92 175.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -46.37 -29.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.83 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.68 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 59.08 96.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 28.3 t 177.55 148.46 0.34 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.11 21.13 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.34 157.89 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -31.12 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.52 152.62 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 428' ' ' LYS . 31.6 tp60 -177.61 130.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 429' ' ' THR . 0.0 OUTLIER 44.36 -167.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 429' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 428' ' ' LYS . 7.0 m -43.26 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -171.35 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 4.3 t -75.08 148.25 84.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.03 36.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -2.02 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 367' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.83 142.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.96 178.11 7.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -50.13 101.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -151.53 -134.42 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 36.7 m 67.17 130.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.75 ' O ' ' HB3' ' A' ' 373' ' ' ALA . 1.9 ttt 72.58 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 372' ' ' MET . . . 91.83 -24.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -29.44 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 375' ' ' ILE . 4.3 mp -77.52 -45.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 380' ' ' VAL . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 373' ' ' ALA . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 376' ' ' VAL . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.603 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.557 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.64 -44.45 18.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.4 m-85 -61.98 -39.41 92.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 2.5 m -66.16 -59.56 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.1 t -45.73 -56.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -61.27 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 7.4 t 72.78 -69.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.74 131.47 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -89.72 -110.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 402' ' ' ARG . 47.5 mtm180 -39.0 122.49 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -28.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 400' ' ' ARG . 1.4 mtt180 -151.5 -70.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.8 OUTLIER -177.09 66.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 171.01 -82.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.87 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.1 OUTLIER -167.89 55.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.527 ' HE3' ' HD2' ' A' ' 411' ' ' LYS . 0.5 OUTLIER -111.01 -68.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 36.5 t -50.99 -28.58 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -58.27 -66.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.638 HG13 HD23 ' A' ' 413' ' ' LEU . 3.3 tt -46.9 -52.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.527 ' HD2' ' HE3' ' A' ' 407' ' ' MET . 0.2 OUTLIER -40.41 -54.53 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 413' ' ' LEU . 19.8 mmt-85 -68.72 -52.67 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.638 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -40.2 -47.2 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 416' ' ' GLU . 10.9 mt -79.84 -41.92 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.4 t -39.13 -30.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 414' ' ' LEU . 37.3 mm-40 -138.51 178.48 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -113.13 -59.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -115.38 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 15.3 t -171.06 165.39 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 79.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.11 172.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.42 75.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -172.31 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.32 124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -175.45 142.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -39.07 150.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 151.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.1 p -128.13 -176.84 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -60.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -47.11 109.91 1.17 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -6.08 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 6.0 m -73.76 154.75 89.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.87 32.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -156.09 145.48 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -38.01 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.479 ' HA ' HD23 ' A' ' 374' ' ' LEU . 14.4 p -54.0 -172.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 77.86 -53.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -77.64 -22.16 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -63.17 -37.37 86.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.463 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.8 mp -76.91 -43.28 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 380' ' ' VAL . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 376' ' ' VAL . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 383' ' ' LEU . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.491 ' HA ' HD23 ' A' ' 389' ' ' LEU . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 396' ' ' ARG . 11.1 t80 -50.55 -58.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.7 m-30 -48.62 -37.19 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -53.08 60.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' VAL . . . . . 0.68 HG12 ' N ' ' A' ' 396' ' ' ARG . 33.6 t -68.97 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' ARG . . . . . 0.68 ' N ' HG12 ' A' ' 395' ' ' VAL . 4.8 mtm180 37.5 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 68.9 p -41.22 -62.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -175.01 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.18 151.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 402' ' ' ARG . 0.1 OUTLIER -47.76 -32.17 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.85 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 400' ' ' ARG . 3.2 mpp_? -124.08 -172.96 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 3.1 mt-30 -75.74 107.77 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -179.92 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 400' ' ' ARG . 2.0 mm-40 44.58 -95.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 404' ' ' ALA . 18.6 ttt85 -72.91 -49.96 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 409' ' ' GLN . 0.1 OUTLIER -61.95 174.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 408' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 412' ' ' ARG . 1.9 t 69.67 -59.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.053 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 1.3 tt0 -68.79 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.719 ' HA ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -39.25 -50.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 410' ' ' ILE . 0.7 OUTLIER -37.33 -65.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -72.96 -47.38 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 410' ' ' ILE . 0.1 OUTLIER -39.28 -54.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.609 HD11 HG12 ' A' ' 410' ' ' ILE . 10.0 mt -72.05 -42.18 66.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 414' ' ' LEU . 15.7 t -38.56 -72.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -95.24 20.76 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.09 89.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 413' ' ' LEU . 3.6 tmtt? -65.24 135.25 55.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 47.9 p -47.9 110.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.1 t -177.42 75.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 41.81 -161.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.95 150.39 60.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.79 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.74 82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 175.09 85.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.63 124.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -134.5 -96.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.61 85.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -70.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.4 m170 41.02 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.84 150.48 0.29 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.16 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.77 -2.29 56.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.4 156.02 43.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.2 Cg_endo -75.02 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 2.7 ttt180 38.41 90.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 167.28 98.52 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 371' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 374' ' ' LEU . 49.5 m 60.94 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 372' ' ' MET . . . . . 0.884 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.4 OUTLIER 81.47 -49.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 373' ' ' ALA . . . . . 0.572 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -81.43 -38.02 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 374' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -52.2 -38.3 57.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 375' ' ' ILE . . . . . 0.405 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -77.47 -32.43 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 376' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 372' ' ' MET . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 377' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 383' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 386' ' ' PHE . . . . . 0.685 ' HA ' HD23 ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 387' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' LEU . . . . . 0.738 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -37.79 -56.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.94 -47.32 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -55.58 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.9 -45.7 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -60.09 89.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.56 129.24 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 116.11 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -92.9 126.99 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.584 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -38.89 135.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 402' ' ' ARG . 5.7 tpt180 -146.28 90.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ARG . . . . . 0.627 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER 158.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 2.3 pt20 96.06 4.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -125.98 -92.26 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.66 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -95.13 -38.73 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 8.8 mmm -54.09 -49.3 69.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 4.0 t -52.13 -21.17 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.89 -51.18 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ILE . . . . . 0.534 HG23 HD11 ' A' ' 414' ' ' LEU . 4.5 mt -48.6 -49.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.8 OUTLIER -37.47 -35.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 410' ' ' ILE . 11.3 mmt-85 -86.31 -48.83 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 413' ' ' LEU . 2.0 tm? -43.58 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 410' ' ' ILE . 0.6 OUTLIER -103.03 -48.82 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.1 m -124.79 83.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.58 -22.85 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.55 142.6 58.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -70.67 154.66 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 419' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 418' ' ' LYS . 2.0 p 38.26 77.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.3 -65.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -91.05 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 154.77 81.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -168.97 175.97 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -59.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.7 t80 53.25 173.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -122.62 -178.38 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 146.41 30.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 21.4 m -143.08 134.84 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.46 172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.28 119.22 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 380' ' ' VAL . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.733 ' C ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.547 ' HA ' HD23 ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 383' ' ' LEU . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 380' ' ' VAL . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 376' ' ' VAL . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.604 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.594 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.604 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 380' ' ' VAL . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 383' ' ' LEU . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.629 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.55 ' HA ' HD23 ' A' ' 389' ' ' LEU . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 380' ' ' VAL . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 376' ' ' VAL . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 389' ' ' LEU . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.757 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 380' ' ' VAL . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.774 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 27.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 380' ' ' VAL . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.623 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.769 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 380' ' ' VAL . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.762 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 379' ' ' GLY . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 384' ' ' LEU . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.651 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 380' ' ' VAL . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 376' ' ' VAL . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 387' ' ' ILE . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.555 ' HA ' HD23 ' A' ' 389' ' ' LEU . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 23.8 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 379' ' ' GLY . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.632 ' HA ' HD23 ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 391' ' ' ILE . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 55.1 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 380' ' ' VAL . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.548 ' HA ' HD23 ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . 0.495 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 381' ' ' ALA . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' A' ' 384' ' ' LEU . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 378' ' ' GLY . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.406 ' HG ' HG13 ' A' ' 380' ' ' VAL . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.653 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 391' ' ' ILE . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.598 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 384' ' ' LEU . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.621 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 380' ' ' VAL . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 376' ' ' VAL . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.597 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 387' ' ' ILE . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.413 ' HG ' HG13 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 392' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 389' ' ' LEU . 7.5 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 380' ' ' VAL . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 376' ' ' VAL . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.603 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.557 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.737 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 380' ' ' VAL . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 376' ' ' VAL . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.491 ' HA ' HD23 ' A' ' 389' ' ' LEU . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.756 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 11.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' PHE . . . . . 0.685 ' HA ' HD23 ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' LEU . . . . . 0.738 HD12 ' C ' ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.24 7.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -2.28 58.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 154.67 45.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.16 129.88 36.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -77.43 -174.17 40.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 372' ' ' MET . 7.8 m 60.57 157.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 0.748 . . . . 0.0 110.045 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.432 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 76.81 -54.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.96 -23.39 44.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 374' ' ' LEU . 0.2 OUTLIER -63.45 -48.56 77.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 375' ' ' ILE . 2.1 mp -66.74 -44.85 89.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 380' ' ' VAL . 40.7 t -62.16 -54.72 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 17.8 mt -46.49 -49.05 18.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.41 92.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -78.82 -13.31 83.25 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -96.68 -42.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.43 -65.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.13 -55.62 11.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.733 ' C ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -50.85 -50.82 56.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.02 -37.36 44.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.547 ' HA ' HD23 ' A' ' 389' ' ' LEU . 51.9 m-85 -46.61 -34.15 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.733 HD12 ' C ' ' A' ' 383' ' ' LEU . 3.7 mt -65.35 -62.57 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.81 -25.14 63.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.1 OUTLIER -82.09 -37.03 26.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 386' ' ' PHE . . . -65.04 -38.92 95.98 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 12.8 mm -76.85 -60.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -41.16 -45.25 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.6 m-30 -62.12 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 51.58 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 36.9 t -144.19 -65.95 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -44.05 -56.6 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 4.8 m -122.92 168.15 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -72.3 -60.63 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.31 61.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.143 . . . . 0.0 109.598 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.496 ' CD ' ' CD ' ' A' ' 405' ' ' GLU . 7.2 mtm105 -95.85 89.78 5.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 88.65 2.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 68.31 -76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -140.99 73.55 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -135.9 -76.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.496 ' CD ' ' CD ' ' A' ' 400' ' ' ARG . 2.5 mm-40 45.96 -94.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 404' ' ' ALA . 41.4 mtm180 -152.73 42.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.497 ' CE ' ' HA ' ' A' ' 407' ' ' MET . 1.0 OUTLIER -117.4 145.91 43.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.79 -48.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -78.63 -37.46 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.437 HG23 HD11 ' A' ' 414' ' ' LEU . 0.9 OUTLIER -85.62 -34.05 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -47.05 -61.18 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 413' ' ' LEU . 20.5 mmt-85 -61.22 -51.51 68.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.6 tm? -40.08 -47.86 2.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 413' ' ' LEU . 12.1 mt -81.37 -42.83 19.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 414' ' ' LEU . 5.3 t -39.0 -30.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.441 ' N ' ' C ' ' A' ' 414' ' ' LEU . 2.4 tt0 -124.53 108.31 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.05 -59.31 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -99.07 152.73 19.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 32.9 p -60.53 177.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.68 110.7 2.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -39.24 146.5 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 18.3 p -165.84 158.15 12.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.28 -63.82 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 59.3 115.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 427' ' ' GLN . 0.1 OUTLIER -87.24 92.25 9.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 426' ' ' PHE . 0.0 OUTLIER 40.71 -161.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.253 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -78.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 429' ' ' THR . 1.0 OUTLIER 47.57 79.49 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.344 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -169.28 97.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.583 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.05 151.07 54.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.01 36.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.75 -2.22 51.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.52 44.63 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 153.81 42.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.86 -48.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 179.17 -137.02 3.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 374' ' ' LEU . 8.3 t -49.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.784 ' O ' HG23 ' A' ' 376' ' ' VAL . 1.4 ttm 79.77 -52.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -80.31 -29.41 38.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -56.96 -43.12 81.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.7 mp -71.27 -44.01 73.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 372' ' ' MET . 48.9 t -60.63 -57.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 9.3 mt -52.51 -53.11 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.04 -34.28 65.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.23 -13.53 78.71 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 376' ' ' VAL . 65.4 t -97.3 -41.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.29 -64.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.13 -47.79 48.41 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.604 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.27 -44.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.4 mt -57.88 -36.32 72.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.37 -54.52 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.594 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.7 m-85 -61.36 -37.23 82.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.604 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.29 -44.73 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -73.97 -36.62 51.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -67.85 -37.87 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.29 -45.65 92.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -71.6 -58.57 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -43.98 -55.97 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.488 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 2.0 m-30 -41.87 -49.83 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 69.9 m -63.35 -41.97 98.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.28 -65.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -34.7 64.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.59 118.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 65.86 138.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -76.84 155.96 32.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.491 ' HG2' ' CG ' ' A' ' 405' ' ' GLU . 16.1 mtp-105 63.29 42.0 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.15 6.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 403' ' ' GLN . 1.4 mmt180 -167.31 120.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.237 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 402' ' ' ARG . 26.2 mm-40 38.7 65.61 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.49 -67.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.491 ' CG ' ' HG2' ' A' ' 400' ' ' ARG . 3.5 mt-10 47.31 -94.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -93.33 -42.0 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.466 ' HE2' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -37.79 -33.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 406' ' ' ARG . 18.9 t -51.83 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 11.1 pt20 -52.78 -46.25 67.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.837 HG13 HD23 ' A' ' 413' ' ' LEU . 1.3 mp -50.67 -49.92 24.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -40.34 -45.61 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -84.91 -51.24 6.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.837 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -40.46 -49.42 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.503 ' CD1' HG23 ' A' ' 410' ' ' ILE . 64.1 mt -78.95 -68.41 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 39.1 t 66.86 -68.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.033 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 9.2 mt-10 -116.99 146.34 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -81.27 -62.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -164.08 170.51 16.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t -78.47 123.31 26.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.0 t -179.68 167.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -39.39 125.42 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.75 161.75 24.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.66 38.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -168.98 149.55 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.587 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.27 168.6 9.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.8 t80 53.84 100.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -178.73 63.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.3 174.56 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 12.4 t -144.32 157.95 44.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.09 174.93 10.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 150.7 17.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.97 -2.1 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 368' ' ' PRO . 0.2 OUTLIER -124.44 135.44 26.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.354 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.94 136.88 21.11 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -85.9 156.51 20.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -164.22 135.37 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.71 ' HA ' HD23 ' A' ' 374' ' ' LEU . 1.3 m 177.95 165.99 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.727 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER 80.17 -51.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -79.66 -29.38 40.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -54.76 -37.92 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -78.89 -41.82 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 372' ' ' MET . 59.0 t -60.8 -53.11 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.83 -56.17 9.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -53.43 -34.93 49.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -80.6 -16.27 76.03 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.7 t -94.16 -44.16 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -60.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.42 -54.95 27.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 383' ' ' LEU . 0.4 OUTLIER -51.27 -47.01 62.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.302 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 384' ' ' LEU . 18.5 mt -54.44 -39.57 67.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.87 -58.45 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.629 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.9 m-85 -58.11 -40.98 82.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -59.21 -49.72 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.25 -36.74 85.51 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.55 -38.76 81.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.38 -45.66 95.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.2 mp -73.83 -59.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -40.78 -61.77 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -44.52 -34.24 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.7 t -65.57 -51.88 56.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 397' ' ' SER . 70.7 t -56.01 -61.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -65.73 76.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 395' ' ' VAL . 0.3 OUTLIER -125.2 79.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.973 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 51.51 99.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -116.94 121.9 42.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.432 ' CG ' ' CD ' ' A' ' 405' ' ' GLU . 0.3 OUTLIER 41.22 84.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.35 94.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.5 -67.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -140.58 83.05 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -175.63 69.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.432 ' CD ' ' CG ' ' A' ' 400' ' ' ARG . 3.7 mm-40 -132.18 -62.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -82.98 -36.94 24.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.6 mmm -44.32 -47.87 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.4 t -40.67 -52.75 2.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.54 -58.1 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.695 HG13 HD23 ' A' ' 413' ' ' LEU . 1.9 mp -41.35 -52.58 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.28 -46.69 2.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -83.43 -50.03 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.695 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -41.75 -52.57 3.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.61 ' CD1' HG23 ' A' ' 410' ' ' ILE . 20.0 mt -77.17 -65.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 27.7 t 59.38 115.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -109.82 -16.57 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.73 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp 59.34 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.5 t -80.2 139.66 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 19.6 m -50.5 131.99 25.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 7.8 pt20 -156.19 139.48 15.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 96.1 p -38.75 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 421' ' ' GLN . 18.2 Cg_endo -74.99 -44.13 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 64.2 m170 43.41 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.646 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.05 138.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -76.22 129.89 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 63.34 161.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 59.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 29.0 m 63.46 139.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 431' ' ' SER . 26.3 p80 -150.83 129.9 12.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 430' ' ' HIS . 1.8 p -38.94 157.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 433' ' ' ILE . 2.2 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.17 29.75 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -2.31 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.077 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.43 155.35 44.83 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 135.48 19.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 48.53 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -94.93 124.2 7.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 374' ' ' LEU . 66.3 p 53.43 78.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.1 OUTLIER -134.82 -44.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.493 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.41 -36.84 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.3 -42.84 67.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 371' ' ' SER . 3.4 mp -66.08 -44.3 91.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 380' ' ' VAL . 62.2 t -50.52 -58.67 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.1 mm? -44.09 -60.29 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.57 -39.55 45.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.88 -13.37 83.7 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.6 t -96.32 -42.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.52 -65.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.65 -54.81 12.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -52.09 -44.38 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.44 ' CD1' HG12 ' A' ' 380' ' ' VAL . 38.2 mt -61.84 -38.32 87.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.77 -52.53 56.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.55 ' HA ' HD23 ' A' ' 389' ' ' LEU . 93.6 m-85 -63.03 -41.5 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -58.19 -44.51 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -72.51 -37.38 58.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.24 -40.51 81.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.761 . . . . 0.0 109.268 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.94 -42.87 95.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 26.6 mm -71.62 -63.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.402 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 1.5 t80 -40.8 -52.4 3.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.81 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 1.8 m -60.86 -61.28 2.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -45.48 -58.99 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 1.3 mtp-105 -58.76 -64.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.7 m 60.06 151.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 399' ' ' HIS . 9.9 mtp-105 -149.08 93.08 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 398' ' ' ARG . 5.4 m170 -168.73 95.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.604 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 402' ' ' ARG . 1.6 mtt85 -59.83 -73.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 47.16 -93.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 400' ' ' ARG . 0.0 OUTLIER -107.14 -165.9 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.676 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -38.78 96.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 164.72 57.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 400' ' ' ARG . 1.4 mm-40 -123.51 -59.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.664 ' O ' HD12 ' A' ' 410' ' ' ILE . 1.8 ptt85 -89.65 -37.91 14.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.482 ' HE3' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -58.19 -44.89 88.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.506 ' O ' ' CE ' ' A' ' 411' ' ' LYS . 81.2 p -64.04 -11.31 28.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -113.52 -4.97 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 406' ' ' ARG . 1.0 OUTLIER -116.76 -8.73 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 408' ' ' SER . 0.0 OUTLIER -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.428 ' C ' ' N ' ' A' ' 414' ' ' LEU . 0.4 OUTLIER -94.86 -50.14 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.639 HD13 HD23 ' A' ' 414' ' ' LEU . 1.5 tm? -39.84 -30.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.639 HD23 HD13 ' A' ' 413' ' ' LEU . 9.7 mt -100.21 -62.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 25.0 t 60.77 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.68 135.21 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -46.0 122.61 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -149.76 177.29 9.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.3 t -100.15 151.5 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 21.0 p -169.99 -59.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? 61.38 105.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.6 t -161.38 149.01 12.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -123.96 60.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.634 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -153.45 148.19 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -69.14 100.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 429' ' ' THR . 1.4 mt-30 -104.06 171.1 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.2 -70.69 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 427' ' ' GLN . 16.7 m 46.86 88.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.453 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.23 84.73 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 158.49 1.09 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -62.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.37 20.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -2.28 33.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.36 155.75 44.19 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 369' ' ' ARG . 18.4 Cg_endo -74.97 176.47 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 368' ' ' PRO . 3.3 ttt85 38.32 90.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -116.51 133.48 10.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.777 ' HA ' HD23 ' A' ' 374' ' ' LEU . 0.4 OUTLIER -105.07 65.77 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 110.052 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.568 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -137.78 -44.81 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.476 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -84.37 -38.74 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.777 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.54 -40.04 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.454 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.4 mp -66.04 -47.92 83.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 372' ' ' MET . 76.5 t -48.25 -60.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.2 mm? -41.49 -60.04 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.89 -38.48 46.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -77.8 -12.42 84.46 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 376' ' ' VAL . 71.3 t -97.59 -41.83 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.93 -64.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.3 -47.47 42.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -58.46 -43.43 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.85 -38.5 91.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.3 tp -52.82 -52.25 57.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.502 ' HA ' HD23 ' A' ' 389' ' ' LEU . 54.9 m-85 -62.02 -39.96 94.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 383' ' ' LEU . 4.0 mt -63.16 -36.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.84 -29.75 41.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -76.04 -43.15 45.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.31 -42.0 93.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 9.3 mm -74.03 -62.09 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.465 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 66.4 t80 -42.49 -50.03 5.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 111.061 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.518 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.3 m-85 -57.29 -46.3 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.39 -58.4 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 74.7 t -41.43 -61.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.465 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 22.1 mtp180 -40.99 -60.31 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 51.7 p -178.24 163.55 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -63.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' ' 401' ' ' ARG . 17.1 p-80 -175.76 176.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 0.3 OUTLIER -38.49 98.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 399' ' ' HIS . 1.5 mtp180 -171.75 -40.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.502 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER -138.51 -56.05 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 18.8 mt-30 -165.8 84.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -168.35 -71.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 406' ' ' ARG . 1.6 mt-10 64.01 11.66 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 405' ' ' GLU . 4.5 ttp85 84.75 29.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.47 ' CE ' ' HD3' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -86.47 -19.75 29.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 407' ' ' MET . 90.2 p -67.12 -45.59 76.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.95 -36.93 67.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.788 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -65.76 -35.82 76.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.47 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.7 OUTLIER -39.77 -68.56 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 413' ' ' LEU . 9.4 mmt180 -54.94 -53.44 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.788 HD12 ' CD1' ' A' ' 410' ' ' ILE . 0.9 OUTLIER -39.33 -47.09 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.605 HD23 ' CD1' ' A' ' 413' ' ' LEU . 32.4 mt -76.99 -67.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 30.4 t 60.16 118.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.3 158.31 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 137.72 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.37 166.38 23.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 16.2 p -105.71 90.39 3.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.41 103.9 12.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -143.74 -54.23 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 1.3 m 47.89 87.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.61 42.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.49 1.784 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.69 174.11 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 61.36 124.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -169.05 -52.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.58 167.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.71 89.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 38.5 m -113.57 143.23 44.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.38 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . 0.593 ' CE1' ' O ' ' A' ' 431' ' ' SER . 0.8 OUTLIER 63.04 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.569 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . 0.593 ' O ' ' CE1' ' A' ' 430' ' ' HIS . 18.1 m -87.89 150.64 48.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -60.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 177.71 8.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -5.63 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.7 m -75.08 154.91 86.56 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -174.95 2.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.97 94.85 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 144.04 -105.92 0.39 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.538 ' HA ' HD23 ' A' ' 374' ' ' LEU . 53.6 m -58.86 175.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 109.968 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.429 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 76.04 -55.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.046 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -78.31 -21.32 49.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -63.6 -44.5 93.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.4 mp -69.95 -44.49 78.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.31 -50.87 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 22.2 mt -53.29 -39.52 64.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -67.1 -35.73 89.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -85.58 -7.0 82.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 383' ' ' LEU . 34.3 t -105.97 -35.78 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -39.39 -36.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -69.35 -48.09 47.42 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 380' ' ' VAL . 1.3 mp -60.11 -44.2 95.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 27.5 mt -57.43 -31.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.95 -58.1 9.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.57 ' HA ' HD23 ' A' ' 389' ' ' LEU . 91.7 m-85 -60.99 -39.18 88.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.45 -42.74 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.21 -27.44 66.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -79.92 -49.93 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -51.58 -21.86 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 14.8 mm -100.27 -48.34 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.4 -36.86 79.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.4 m-85 -81.29 -19.7 42.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 39.8 t -69.92 -35.12 74.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 47.8 t -68.91 -21.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -92.69 -152.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 53.9 p -110.01 112.72 24.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.9 79.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 174.09 15.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 405' ' ' GLU . 0.0 OUTLIER 65.25 113.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 4.3 mpp_? -107.2 65.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 60.77 -91.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -119.2 80.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.02 71.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 400' ' ' ARG . 4.9 mm-40 -140.88 -56.88 0.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 410' ' ' ILE . 12.0 ttt85 -85.46 -35.0 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -52.47 40.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 6.2 t -39.95 -60.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -48.55 -52.01 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.088 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.833 HG13 HD23 ' A' ' 413' ' ' LEU . 1.7 mp -49.53 -41.77 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -47.91 -44.58 29.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -86.58 -49.12 7.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -41.53 -48.38 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.449 ' CD1' HG23 ' A' ' 410' ' ' ILE . 67.9 mt -81.18 -67.73 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 11.9 t 62.05 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.49 105.56 9.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -56.92 99.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.27 164.17 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 5.0 t 40.2 39.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.5 p -136.43 100.69 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.4 -59.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.07 151.99 0.68 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.062 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.66 9.63 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.984 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -145.71 118.07 8.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.628 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -177.19 108.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -170.2 153.59 4.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -156.81 176.36 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm 64.57 138.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 30.9 p -130.15 152.7 49.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -178.21 174.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 3.9 m 62.31 108.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -10.96 21.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 162.81 36.6 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -2.29 46.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.419 HG21 ' SD ' ' A' ' 372' ' ' MET . 0.0 OUTLIER -113.4 154.71 45.35 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -177.67 3.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -88.21 167.73 13.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 110.82 93.69 2.21 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.461 1.101 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.687 ' HA ' HD23 ' A' ' 374' ' ' LEU . 50.5 m 39.42 82.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.63 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.1 OUTLIER -139.37 -44.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.516 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.78 -37.98 21.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -52.94 -40.16 63.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.413 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.4 mp -68.46 -44.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 372' ' ' MET . 79.6 t -52.29 -57.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.0 mm? -42.39 -60.97 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -48.06 -48.06 25.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -67.44 -16.33 67.19 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 376' ' ' VAL . 70.1 t -93.0 -43.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.37 -56.25 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -56.22 -51.9 52.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.495 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.48 -45.08 77.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 380' ' ' VAL . 42.8 mt -56.91 -36.59 70.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.3 tp -53.99 -59.98 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 389' ' ' LEU . 96.7 m-85 -58.52 -38.4 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.74 -51.89 67.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -65.11 -31.52 81.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -74.42 -37.09 63.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -60.15 -32.67 76.92 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -87.95 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.583 ' CE2' ' NE ' ' A' ' 396' ' ' ARG . 27.1 t80 -43.0 -57.47 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.451 ' CE2' HD13 ' A' ' 389' ' ' LEU . 3.7 m-30 -47.89 -37.74 14.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.04 -27.38 63.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 52.8 t -75.8 -22.78 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.583 ' NE ' ' CE2' ' A' ' 392' ' ' PHE . 0.0 OUTLIER -118.47 110.77 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 6.3 t -51.56 163.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.458 ' O ' ' CB ' ' A' ' 399' ' ' HIS . 0.0 OUTLIER -90.8 160.74 15.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' A' ' 400' ' ' ARG . 1.0 OUTLIER 84.26 93.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.567 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 0.1 OUTLIER 171.63 64.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -69.59 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -146.22 -64.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -140.58 87.62 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -176.07 54.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 400' ' ' ARG . 1.3 mm-40 -134.57 -53.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -145.3 17.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 411' ' ' LYS . 2.0 mmm -43.46 -52.37 6.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 69.5 m -42.2 -37.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -84.55 -43.23 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.76 -12.29 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 0.5 OUTLIER -71.33 -60.3 2.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -69.71 -42.04 74.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.58 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.5 tm? -40.38 -46.2 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 417' ' ' LYS . 10.9 mt -80.1 -41.49 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.9 t -46.42 -24.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.003 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.06 -24.26 13.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 414' ' ' LEU . 0.7 OUTLIER -82.19 148.62 28.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -30.23 71.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 2.9 t -101.68 150.61 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 t -153.9 -64.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 50.64 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.2 t -86.11 148.01 46.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.34 21.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -40.07 126.83 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.27 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 1.1 t80 179.15 96.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -141.1 -82.4 0.23 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.42 71.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.4 m -129.42 132.26 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.91 172.84 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.563 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.26 160.43 48.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.24 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -2.22 34.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 156.9 42.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.246 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.27 121.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 148.77 -90.44 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.742 ' HA ' HD23 ' A' ' 374' ' ' LEU . 0.4 OUTLIER -73.56 90.79 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.975 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -149.28 -44.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -82.17 -39.16 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -49.45 -35.81 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.3 mp -77.85 -41.04 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 372' ' ' MET . 53.3 t -56.13 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -43.93 -63.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.48 -31.49 28.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -83.6 -15.56 70.63 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 376' ' ' VAL . 69.3 t -95.96 -42.15 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.53 -64.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -49.35 -55.03 13.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.672 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.4 OUTLIER -51.46 -47.11 63.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.04 -39.58 72.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.86 -62.44 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.623 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.6 m-85 -57.79 -40.78 80.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.6 mt -57.78 -48.72 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -69.03 -42.17 78.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.769 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -61.49 -41.27 97.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -52.68 -48.35 56.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.3 mt -70.06 -61.33 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 0.788 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -37.56 -40.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.551 ' CE1' ' NH2' ' A' ' 396' ' ' ARG . 3.4 m-30 -68.92 70.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.5 t -174.64 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 69.8 t -70.26 -47.31 67.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.551 ' NH2' ' CE1' ' A' ' 393' ' ' PHE . 56.3 mtm180 -43.39 -58.57 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 67.0 m 65.54 136.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.41 161.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.526 ' CE1' ' CB ' ' A' ' 408' ' ' SER . 0.3 OUTLIER -51.93 172.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.585 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 399' ' ' HIS . 3.9 mtm105 -164.99 -92.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.7 -92.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 400' ' ' ARG . 71.8 mtt180 -104.02 165.33 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.603 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.4 OUTLIER -38.67 97.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 169.56 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.53 -51.35 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -108.81 -32.4 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.458 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 0.0 OUTLIER -64.32 -18.33 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.526 ' CB ' ' CE1' ' A' ' 399' ' ' HIS . 0.3 OUTLIER -59.88 -51.67 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 410' ' ' ILE . 5.4 mt-30 -69.12 -52.28 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.748 ' HA ' HD23 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -40.48 -49.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.458 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -37.11 -66.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 412' ' ' ARG . 1.4 mpp_? -73.79 -47.96 35.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 410' ' ' ILE . 0.3 OUTLIER -42.51 -29.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 410' ' ' ILE . 13.6 mt -104.11 -47.74 4.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 82.14 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.97 -12.07 34.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 5.5 pttp 41.46 73.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.84 -49.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 3.6 t -93.52 -33.26 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 24.3 p -111.99 113.31 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 422' ' ' SER . 67.9 tp60 -170.77 152.02 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 421' ' ' GLN . 2.6 t -38.73 99.33 0.19 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.33 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.7 88.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.69 162.39 17.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -159.85 122.68 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -126.89 -169.26 2.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -44.05 -58.73 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m 61.37 136.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.18 142.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.28 153.64 35.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.002 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -60.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.67 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 -5.71 41.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 4.9 m -74.68 157.93 85.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 117.05 4.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.468 ' N ' ' HB2' ' A' ' 373' ' ' ALA . 5.1 mmt85 -154.51 132.0 11.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 373' ' ' ALA . . . 63.67 -144.77 49.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.888 ' HA ' HD23 ' A' ' 374' ' ' LEU . 14.9 m -47.34 -54.65 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -25.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.539 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -89.1 -47.58 8.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.888 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -44.63 -41.59 6.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 371' ' ' SER . 2.5 mp -66.1 -46.97 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 380' ' ' VAL . 41.9 t -61.25 -55.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.2 mm? -40.9 -60.35 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -50.17 -43.21 41.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -72.57 -14.27 77.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.6 t -95.61 -42.54 12.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 0.787 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.4 -59.54 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.35 36.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.0 -46.3 75.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 380' ' ' VAL . 46.7 mt -54.82 -35.07 63.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.86 -58.59 7.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.587 ' HA ' HD23 ' A' ' 389' ' ' LEU . 88.1 m-85 -59.91 -39.76 86.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -62.87 -41.16 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.9 -28.26 59.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.762 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.89 -48.89 15.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . 0.42 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -54.32 -44.17 75.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 394' ' ' SER . 35.2 mm -71.52 -61.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.512 ' CZ ' ' NE ' ' A' ' 396' ' ' ARG . 26.1 t80 -44.11 -50.85 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -56.94 -26.64 59.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 391' ' ' ILE . 15.2 m -88.55 15.76 7.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 73.4 t -146.16 -84.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.512 ' NE ' ' CZ ' ' A' ' 392' ' ' PHE . 0.2 OUTLIER 62.6 113.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 396' ' ' ARG . 3.8 m 38.83 -153.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.408 ' HG3' ' CG ' ' A' ' 399' ' ' HIS . 9.9 ptp180 -137.78 -175.08 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.408 ' CG ' ' HG3' ' A' ' 398' ' ' ARG . 31.2 m170 52.43 77.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 400' ' ' ARG . 28.7 mtm105 62.48 -84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 38.76 30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 400' ' ' ARG . 6.0 mtt180 62.74 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.615 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 49.4 mm-40 64.67 37.95 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 168.78 59.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -122.69 -55.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -92.54 -35.16 13.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.7 mmm -60.91 -55.42 33.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 1.2 m -40.09 -46.44 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -59.14 -48.83 80.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.61 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.3 mp -66.58 -35.67 75.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 410' ' ' ILE . 1.1 ttpp -39.56 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -52.42 61.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.585 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.7 tm? -40.05 -51.0 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.61 HD11 ' CG2' ' A' ' 410' ' ' ILE . 12.5 mt -76.48 -70.28 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m 40.14 42.02 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.11 -7.62 22.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -98.54 167.34 10.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 141.81 55.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 11.8 t -104.68 123.59 47.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.32 163.33 3.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.023 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -67.28 134.62 51.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 13.5 p -171.92 151.23 2.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 58.6 m170 54.19 175.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 65.44 161.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 110.283 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 59.02 104.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -172.78 -86.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.18 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 14.6 t -158.41 163.45 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -143.55 137.04 28.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.624 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.93 157.17 11.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.26 25.24 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.045 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.67 -2.27 58.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.45 160.41 31.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.1 Cg_endo -75.01 175.87 10.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 0.0 OUTLIER 50.45 178.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -79.24 -100.41 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.558 ' HA ' HD23 ' A' ' 374' ' ' LEU . 1.8 m 51.94 63.39 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.462 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -142.55 -44.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.483 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -84.5 -38.12 20.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -55.71 -42.74 75.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.5 mp -60.39 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 372' ' ' MET . 75.2 t -46.94 -59.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.2 mm? -42.2 -60.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.38 -34.05 40.76 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.54 -13.63 79.8 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.86 -41.81 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.68 -59.02 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.21 30.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -52.65 -48.03 66.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 384' ' ' LEU . 23.9 mt -54.09 -37.67 64.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.04 -59.35 4.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.651 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.6 m-85 -58.86 -38.35 78.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -61.59 -49.57 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.04 73.7 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.15 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -75.02 -36.63 61.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.93 95.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.11 -52.48 14.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -50.23 -44.24 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.76 -29.56 68.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 48.0 t -79.83 -64.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.018 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 396' ' ' ARG . 9.9 p -41.15 -49.53 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.477 ' N ' HG13 ' A' ' 395' ' ' VAL . 9.3 mtp-105 -51.95 -57.23 10.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . 0.452 ' CB ' ' HD2' ' A' ' 400' ' ' ARG . 3.5 m -71.24 178.15 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 399' ' ' HIS . 0.9 OUTLIER -78.54 80.77 4.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.417 ' O ' ' N ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 40.16 44.14 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.452 ' HD2' ' CB ' ' A' ' 397' ' ' SER . 25.9 mtt180 -69.45 63.68 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 399' ' ' HIS . 11.1 ttt180 177.96 58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.88 -60.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 403' ' ' GLN . 1.2 pp0? -168.36 55.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 177.49 85.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -142.48 -61.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.28 -40.89 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 26.7 mmm -51.54 -49.5 61.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.7 t -52.03 -21.22 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -99.23 -51.26 3.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.678 HG13 HD23 ' A' ' 413' ' ' LEU . 1.7 mp -49.93 -51.29 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.72 -46.18 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.3 mmt-85 -80.54 -47.76 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.678 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -48.18 -48.4 34.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.552 ' CD1' HG23 ' A' ' 410' ' ' ILE . 57.9 mt -80.68 -61.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 416' ' ' GLU . 6.2 t 39.4 48.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 415' ' ' SER . 0.3 OUTLIER 84.79 -43.6 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 414' ' ' LEU . 33.1 mttt -145.77 -72.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.91 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 9.5 t -68.26 157.63 35.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.352 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.14 86.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 422' ' ' SER . 1.8 pt20 -160.8 118.75 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 421' ' ' GLN . 17.0 t -38.62 99.22 0.19 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 63.72 5.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.35 117.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.586 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -160.9 91.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.83 170.33 10.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -172.81 -61.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -143.94 101.49 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.9 m -99.37 123.63 43.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -165.7 144.66 6.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.93 153.01 45.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.48 31.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.43 -2.33 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.34 155.61 44.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.69 34.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.456 1.766 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.4 mtm-85 -120.99 133.38 55.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -56.98 165.95 5.18 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 375' ' ' ILE . 39.9 m -77.88 -47.62 18.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -26.07 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -85.7 -33.0 21.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 374' ' ' LEU . 0.2 OUTLIER -57.47 -49.13 77.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 371' ' ' SER . 2.6 mp -55.43 -50.92 62.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 380' ' ' VAL . 99.5 t -62.57 -61.89 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.8 mt -40.71 -57.75 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.91 -39.35 56.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -78.6 -11.1 85.62 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 376' ' ' VAL . 54.5 t -98.1 -41.16 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.32 -63.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -48.69 -49.17 28.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 387' ' ' ILE . 2.7 mt -57.86 -44.12 86.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 51.0 mt -63.06 -38.35 90.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 6.1 tp -50.86 -54.19 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.555 ' HA ' HD23 ' A' ' 389' ' ' LEU . 71.4 m-85 -63.25 -42.18 99.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.566 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.7 mt -58.95 -46.16 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -68.71 -30.25 72.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.781 HD13 ' CZ ' ' A' ' 393' ' ' PHE . 0.2 OUTLIER -76.6 -35.99 57.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.36 96.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -80.15 -59.16 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.417 ' CZ ' ' HD2' ' A' ' 396' ' ' ARG . 23.8 t80 -42.94 -52.89 4.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.781 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 2.9 m-30 -43.16 -33.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 -45.66 31.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 396' ' ' ARG . 73.2 t -75.36 -91.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.482 ' NH2' ' NH1' ' A' ' 398' ' ' ARG . 4.0 mtm180 59.09 114.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.53 87.18 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.482 ' NH1' ' NH2' ' A' ' 396' ' ' ARG . 0.0 OUTLIER -42.44 148.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 402' ' ' ARG . 2.3 t-160 -162.7 95.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -67.21 -76.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -31.89 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.596 ' O ' ' CE1' ' A' ' 399' ' ' HIS . 1.6 mtt85 -143.75 -46.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.715 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER 168.57 116.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 161.67 -77.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 400' ' ' ARG . 1.9 mt-10 63.92 -76.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 404' ' ' ALA . 57.0 mtt180 -101.26 -47.82 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -50.83 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.465 ' HB2' ' HB1' ' A' ' 404' ' ' ALA . 34.0 t -47.47 -45.94 26.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 406' ' ' ARG . 1.5 mm-40 -64.12 -34.36 77.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.4 mp -81.16 -11.16 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -59.33 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -66.44 -35.05 79.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.241 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.6 tm? -53.18 -53.89 43.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 410' ' ' ILE . 5.1 mt -79.86 -61.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.1 t 40.3 31.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.47 170.25 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.94 116.97 17.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -167.22 151.57 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 8.9 t -90.26 148.74 22.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 10.5 p -101.41 141.55 34.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -64.55 -55.46 20.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.77 150.36 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.14 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 29.2 m170 65.53 126.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 -52.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.46 155.17 19.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -144.62 175.37 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.64 151.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 10.9 p -129.54 -52.7 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.5 m170 64.65 147.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.98 163.98 45.56 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.81 -2.1 58.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.89 135.46 27.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.67 10.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -41.65 155.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -107.44 -145.97 12.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.127 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.764 ' HA ' HD23 ' A' ' 374' ' ' LEU . 36.5 m 54.32 69.18 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.588 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -137.21 -44.64 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.458 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -83.95 -37.77 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.48 -41.23 66.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 371' ' ' SER . 3.6 mp -65.41 -48.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 372' ' ' MET . 81.3 t -46.71 -61.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -41.65 -60.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.62 -34.46 43.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 376' ' ' VAL . . . -81.35 -12.61 81.86 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 381' ' ' ALA . 53.6 t -98.25 -41.7 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 0.787 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.5 -63.84 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.47 -56.5 12.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 387' ' ' ILE . 0.5 OUTLIER -50.02 -49.06 52.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 384' ' ' LEU . 20.0 mt -52.44 -39.02 60.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.2 tp -53.3 -58.58 6.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.632 ' HA ' HD23 ' A' ' 389' ' ' LEU . 97.9 m-85 -60.01 -44.33 94.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 391' ' ' ILE . 2.5 mt -58.7 -37.04 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -81.43 -34.12 26.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.98 -41.13 74.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -55.35 -42.1 81.99 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.4 mp -77.25 -53.87 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.417 ' CE2' ' HD2' ' A' ' 396' ' ' ARG . 55.1 t80 -49.97 -33.14 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.3 m-85 -81.31 71.22 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 3.2 t -174.22 -63.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.5 t -45.62 -58.28 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.417 ' HD2' ' CE2' ' A' ' 392' ' ' PHE . 2.7 mtt-85 -39.34 -61.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 23.6 m -138.72 105.74 5.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -60.32 -176.88 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 400' ' ' ARG . 2.5 p-80 -94.29 43.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.525 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 0.0 OUTLIER -37.9 -46.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 52.37 20.66 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.67 -69.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.691 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 15.7 pt20 -116.54 91.93 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 163.22 64.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.525 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 5.0 mm-40 -140.35 -52.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.345 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -25.25 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.457 ' CE ' ' HD2' ' A' ' 411' ' ' LYS . 1.5 mmm -57.57 -45.27 85.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 3.6 m -41.05 -48.25 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -66.72 -54.74 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.2 mp -52.22 -32.46 15.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.457 ' HD2' ' CE ' ' A' ' 407' ' ' MET . 0.4 OUTLIER -48.65 -64.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -58.07 -39.4 78.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.643 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.7 tm? -53.87 -54.71 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.612 HD11 ' CG2' ' A' ' 410' ' ' ILE . 7.1 mt -73.78 -61.98 1.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 411' ' ' LYS . 39.0 t 66.93 -68.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 414' ' ' LEU . 34.9 mt-10 -118.34 168.26 10.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt 57.33 163.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp 54.68 170.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 1.4 t -156.72 -46.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.358 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.73 169.03 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -45.2 163.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 20.9 m -85.2 152.38 58.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -57.46 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 425' ' ' ARG . 0.7 OUTLIER -164.41 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.585 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 427' ' ' GLN . 12.4 ptm180 42.84 30.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . 0.577 ' N ' ' CD1' ' A' ' 426' ' ' PHE . 0.0 OUTLIER -56.65 83.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 425' ' ' ARG . 15.6 pm0 37.31 -149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -74.22 -55.13 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 4.7 m 62.93 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -102.96 136.32 43.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 175.3 150.35 0.28 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.978 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . 0.416 ' HB2' HG22 ' A' ' 367' ' ' VAL . 18.3 Cg_endo -74.95 170.26 20.79 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.85 -5.97 25.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 365' ' ' PRO . 5.2 m -73.97 157.17 87.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.42 24.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 140.25 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -93.15 61.21 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.698 ' HA ' HD23 ' A' ' 374' ' ' LEU . 11.1 t -152.08 -68.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 110.039 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.538 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.0 OUTLIER -49.83 -21.96 1.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -86.7 -44.78 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -44.05 -45.24 7.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 371' ' ' SER . 2.5 mp -64.96 -46.28 92.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 372' ' ' MET . 74.8 t -57.15 -56.13 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.5 mm? -41.43 -59.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.46 -39.92 45.56 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -76.21 -13.89 82.84 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 376' ' ' VAL . 75.0 t -95.89 -42.49 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.47 -58.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.84 -52.28 43.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.6 OUTLIER -55.19 -46.5 75.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.8 mt -55.35 -34.36 64.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.5 tp -55.22 -58.69 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.548 ' HA ' HD23 ' A' ' 389' ' ' LEU . 95.8 m-85 -61.31 -39.23 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.7 mt -61.15 -40.57 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.16 -29.93 57.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.34 -49.61 14.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . 0.495 ' N ' HD12 ' A' ' 389' ' ' LEU . . . -50.02 -25.75 7.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 15.2 mm -95.95 -51.39 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.264 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.48 -38.09 71.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 389' ' ' LEU . 5.2 m-85 -79.26 -19.39 50.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -41.41 66.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 39.1 t -69.7 -52.0 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -41.35 -51.2 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 93.9 p -117.27 116.03 26.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -71.2 -54.52 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -40.56 145.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.624 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.527 ' HA ' ' CG ' ' A' ' 405' ' ' GLU . 10.6 mtm180 -53.62 -19.53 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . 0.452 ' O ' ' CG ' ' A' ' 402' ' ' ARG . 7.0 ttt180 76.46 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 401' ' ' ARG . 0.2 OUTLIER 164.35 119.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 402' ' ' ARG . 17.5 pt20 35.37 73.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -158.59 -106.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.527 ' CG ' ' HA ' ' A' ' 400' ' ' ARG . 4.8 mm-40 38.93 -97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 404' ' ' ALA . 1.0 OUTLIER -135.4 48.39 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.479 ' O ' ' CB ' ' A' ' 408' ' ' SER . 1.1 tpt -113.98 138.65 50.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 407' ' ' MET . 3.3 t 84.37 -8.63 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.498 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 9.3 pt20 -103.96 -46.75 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.763 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -84.29 -35.17 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -67.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 413' ' ' LEU . 12.5 mmt180 -55.66 -52.28 64.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.788 ' C ' HD13 ' A' ' 413' ' ' LEU . 0.9 OUTLIER -39.29 -49.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.771 HD23 ' CD1' ' A' ' 413' ' ' LEU . 26.7 mt -77.81 -66.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.9 p 70.32 121.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 151.73 22.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -120.95 -67.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.72 ' HD3' HG23 ' A' ' 419' ' ' THR . 4.0 tttt -58.84 155.96 12.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.72 HG23 ' HD3' ' A' ' 418' ' ' LYS . 73.1 p 37.35 -155.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.05 85.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 167.68 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 6.6 t -144.64 146.96 34.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 140.71 25.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -127.83 -68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.86 155.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -145.83 65.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 70.1 -66.39 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 430' ' ' HIS . 0.0 OUTLIER -68.81 179.44 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 98.3 m 64.84 -75.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 428' ' ' LYS . 28.1 t60 -41.08 -61.0 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.31 150.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 162.77 36.46 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.461 1.769 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -2.38 43.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.99 158.5 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.56 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -100.56 179.56 4.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 92.67 -155.71 22.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 374' ' ' LEU . 84.2 p -84.02 74.88 10.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.65 -45.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.85 26.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.59 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -55.38 -44.76 76.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.5 mp -61.65 -48.92 86.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 85.1 t -61.72 -63.16 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 4.6 mt -44.43 -50.22 9.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 381' ' ' ALA . . . -37.66 -57.83 1.5 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 382' ' ' GLY . . . -64.65 -58.66 9.59 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.406 HG13 ' HG ' ' A' ' 384' ' ' LEU . 5.4 t -44.01 -37.87 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 378' ' ' GLY . . . -49.69 -41.11 42.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 379' ' ' GLY . . . -69.47 -49.23 39.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . . . . . . . . . 2.2 mt -60.61 -44.58 96.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.406 ' HG ' HG13 ' A' ' 380' ' ' VAL . 42.0 mt -57.06 -31.01 64.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.37 -58.18 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.653 ' HA ' HD23 ' A' ' 389' ' ' LEU . 79.0 m-85 -60.48 -40.99 93.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.9 mt -62.12 -41.11 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -76.01 -29.19 59.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.705 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -77.03 -45.12 28.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -57.44 -42.15 93.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 391' ' ' ILE . 30.7 mm -73.64 -60.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -44.11 -44.1 7.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 389' ' ' LEU . 3.3 m-85 -62.78 -41.27 99.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.68 53.69 2.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 42.6 t -149.03 -59.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -52.32 -53.77 40.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 89.7 p -39.56 145.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -44.38 107.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.19 178.86 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -126.23 -59.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 73.96 -68.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 403' ' ' GLN . 0.0 OUTLIER 166.28 138.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 402' ' ' ARG . 32.7 mt-30 39.06 58.17 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -155.88 -102.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 404' ' ' ALA . 3.3 mp0 57.78 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 404' ' ' ALA . 24.2 ptt180 -137.58 54.1 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.413 ' C ' ' CE ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -137.88 -66.27 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.008 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.23 -39.4 2.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -65.73 -46.84 77.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.449 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.1 mp -56.86 -33.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 415' ' ' SER . 0.0 OUTLIER -48.74 -60.65 2.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 13.2 mmt-85 -61.25 -42.83 99.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.615 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.5 tm? -49.48 -53.64 22.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 410' ' ' ILE . 7.4 mt -76.76 -63.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 411' ' ' LYS . 29.6 t 59.93 117.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -117.0 143.29 45.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -107.59 109.23 20.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? 46.18 -166.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 420' ' ' SER . 4.6 t -48.73 -51.48 28.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.385 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . 0.451 ' N ' HG23 ' A' ' 419' ' ' THR . 0.6 OUTLIER 60.49 166.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.35 165.17 15.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.34 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.37 93.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.36 38.93 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -66.3 157.64 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.569 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -120.61 146.81 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.41 128.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -162.08 72.8 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.74 159.76 41.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 5.2 m 61.73 132.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -175.11 151.17 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.16 152.5 0.35 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . 0.493 ' HG2' HD13 ' A' ' 433' ' ' ILE . 18.2 Cg_endo -75.03 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . 0.493 HD13 ' HG2' ' A' ' 432' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.95 36.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.9 -2.13 51.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.705 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.77 143.0 16.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.705 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.5 Cg_endo -75.03 109.78 2.99 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.27 162.43 40.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -109.22 62.14 0.29 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 375' ' ' ILE . 5.3 p -172.21 -50.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -45.96 -25.69 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -87.72 -37.65 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.665 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -53.75 -46.7 70.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 371' ' ' SER . 2.7 mp -57.58 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . . . . . . . . . 93.3 t -62.15 -58.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 11.3 mt -44.71 -52.89 7.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.64 64.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -82.6 -13.74 77.53 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . . . . . . . . . 61.1 t -96.96 -41.33 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.566 0.803 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -39.92 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -51.1 -47.85 48.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.598 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.48 84.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 384' ' ' LEU . 22.3 mt -57.82 -36.29 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.1 tp -54.2 -56.08 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.621 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.5 m-85 -60.3 -37.24 79.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.598 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.7 mt -60.93 -50.98 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -67.45 -36.68 89.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -68.45 -36.35 78.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -59.65 -41.12 97.24 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.04 -59.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -41.13 -46.75 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.633 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.1 m-30 -54.35 -49.35 69.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.788 ' O ' HG23 ' A' ' 395' ' ' VAL . 0.2 OUTLIER -90.66 65.68 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.966 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 394' ' ' SER . 3.3 t -163.19 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 396' ' ' ARG . 30.0 mtm105 -48.41 -52.94 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.8 135.03 15.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.83 133.13 8.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . 0.409 ' C ' ' OE1' ' A' ' 405' ' ' GLU . 0.1 OUTLIER 60.35 150.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 405' ' ' GLU . 3.1 mtp-105 -89.34 -173.93 4.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.3 -22.59 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 404' ' ' ALA . 3.9 mtt180 -156.0 138.57 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.694 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 1.3 pt20 -37.5 96.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 162.54 89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.468 ' HG2' ' CG ' ' A' ' 400' ' ' ARG . 53.7 mt-10 -124.24 -63.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.11 -44.27 22.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.467 ' HE3' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -55.66 -19.27 10.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 407' ' ' MET . 0.5 OUTLIER -62.25 -46.19 89.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 8.9 pt20 -72.63 -43.86 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.765 ' CD1' HD12 ' A' ' 413' ' ' LEU . 0.4 OUTLIER -56.89 -36.33 49.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.452 ' HD3' ' CE ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -39.44 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 413' ' ' LEU . 7.0 mmt180 -54.85 -53.33 56.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 413' ' ' LEU . 1.0 OUTLIER -39.48 -47.63 1.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.558 ' CG ' HD12 ' A' ' 410' ' ' ILE . 10.8 mt -75.15 -74.62 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.44 ' O ' ' CG ' ' A' ' 416' ' ' GLU . 36.4 m 38.99 58.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 415' ' ' SER . 0.1 OUTLIER 173.87 -33.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 93.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.9 124.47 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 12.7 t -41.7 146.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 421' ' ' GLN . 0.7 OUTLIER -150.63 114.11 4.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 420' ' ' SER . 1.6 tt0 -39.02 141.58 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.3 t -39.72 146.69 0.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 80.58 2.4 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.453 1.765 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -40.07 145.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.591 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 68.55 110.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.1 7.19 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 52.88 173.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.33 171.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 3.7 m -155.39 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 64.89 170.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.86 158.38 52.93 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.28 -2.21 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.47 155.21 45.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -174.1 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -106.36 166.09 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 139.82 -48.96 0.82 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.733 ' HA ' HD23 ' A' ' 374' ' ' LEU . 34.2 m -155.13 163.02 40.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.7 OUTLIER 81.25 -49.99 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.551 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -81.98 -37.88 25.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.733 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -53.61 -39.32 64.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.41 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.5 mp -75.99 -30.87 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 372' ' ' MET . 78.1 t -65.9 -57.34 11.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.3 mm? -41.29 -60.66 1.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -51.11 -40.71 44.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.25 -12.87 83.26 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 376' ' ' VAL . 53.3 t -97.34 -44.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.15 -53.65 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -55.26 -51.24 55.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 383' ' ' LEU . 2.9 mt -55.92 -45.58 78.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.289 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.35 -36.17 68.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 5.0 tp -54.5 -59.64 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.597 ' HA ' HD23 ' A' ' 389' ' ' LEU . 99.2 m-85 -58.47 -37.13 74.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -61.93 -56.28 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -60.8 -26.75 65.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.105 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.794 HD13 ' CE1' ' A' ' 393' ' ' PHE . 0.1 OUTLIER -81.0 -35.95 31.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -67.36 -24.78 73.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.79 -59.56 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 394' ' ' SER . 26.2 t80 -47.75 -43.35 27.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.794 ' CE1' HD13 ' A' ' 389' ' ' LEU . 0.8 OUTLIER -41.04 -42.99 2.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 396' ' ' ARG . 0.7 OUTLIER -82.96 -165.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 394' ' ' SER . 62.5 t 66.31 -62.17 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 394' ' ' SER . 5.3 mtt-85 -37.81 -37.56 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 1.4 t -49.43 175.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 175.3 3.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -63.19 -145.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.563 ' HG3' ' CG ' ' A' ' 405' ' ' GLU . 1.7 mpp_? 52.57 20.38 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . 0.406 ' NH2' ' HB3' ' A' ' 394' ' ' SER . 0.1 OUTLIER -74.45 -2.9 27.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 65.69 -99.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.08 -81.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.563 ' CG ' ' HG3' ' A' ' 400' ' ' ARG . 2.9 mm-40 65.08 -82.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.243 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -60.04 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.455 ' CE ' ' O ' ' A' ' 407' ' ' MET . 0.0 OUTLIER -37.8 -33.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.66 -62.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.553 ' HG2' HD12 ' A' ' 410' ' ' ILE . 6.2 pt20 -55.07 -41.59 71.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.686 ' CG2' HD11 ' A' ' 414' ' ' LEU . 1.1 mp -58.44 -41.07 80.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.0 OUTLIER -40.29 -40.89 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -79.08 -45.54 19.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.624 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.5 tm? -50.11 -40.28 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.686 HD11 ' CG2' ' A' ' 410' ' ' ILE . 5.5 mt -79.81 -73.7 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 18.8 m 41.29 73.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -95.29 167.19 11.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 418' ' ' LYS . 0.0 OUTLIER -112.78 -34.44 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 417' ' ' LYS . 0.0 OUTLIER -40.67 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 69.0 p 46.97 87.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 1.3 m -42.97 -49.27 5.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.053 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 55.39 177.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.65 80.98 0.26 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -174.64 153.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.61 167.49 17.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -155.89 139.39 15.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -150.74 172.17 16.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? 68.11 177.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 19.2 m 60.66 95.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -148.51 174.72 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 57.7 p -117.58 116.45 36.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -85.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.494 1.786 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.21 29.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -2.11 58.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.688 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -146.36 142.94 18.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.3 Cg_endo -74.96 139.03 23.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 368' ' ' PRO . 21.5 mmt180 36.23 88.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -161.83 -160.5 10.99 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 372' ' ' MET . 23.6 p -50.98 144.11 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 109.944 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.557 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.0 OUTLIER 85.34 -36.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.632 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -80.99 -41.88 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 371' ' ' SER . 1.0 OUTLIER -48.68 -39.56 24.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.66 -46.46 74.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 372' ' ' MET . 91.0 t -61.03 -51.46 72.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 373' ' ' ALA . 2.4 mm? -40.56 -60.67 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -37.27 -48.68 1.58 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -70.86 -57.61 6.28 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' A' ' 384' ' ' LEU . 4.9 t -48.13 -39.45 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -52.1 -35.51 48.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -73.69 -55.34 6.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.763 ' O ' HD12 ' A' ' 387' ' ' ILE . 4.5 mm? -56.42 -38.38 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.413 ' HG ' HG13 ' A' ' 380' ' ' VAL . 44.9 mt -64.03 -39.98 95.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.93 -62.83 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -54.31 -39.07 66.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.763 HD12 ' O ' ' A' ' 383' ' ' LEU . 3.8 mt -62.3 -64.71 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -51.12 -36.47 35.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.537 HD11 ' CZ ' ' A' ' 393' ' ' PHE . 0.9 OUTLIER -72.09 -51.5 21.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . 0.42 ' HA2' ' CD2' ' A' ' 393' ' ' PHE . . . -46.04 -24.03 1.29 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.527 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.9 mp -101.45 -25.84 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 0.738 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.563 ' CD2' ' HD2' ' A' ' 396' ' ' ARG . 7.5 t80 -65.65 -37.47 86.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 389' ' ' LEU . 48.3 m-85 -36.11 -42.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 34.6 t -68.22 -49.97 57.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 392' ' ' PHE . 44.9 t -60.4 -47.45 92.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.563 ' HD2' ' CD2' ' A' ' 392' ' ' PHE . 0.2 OUTLIER -77.67 56.89 1.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 398' ' ' ARG . 0.5 OUTLIER 61.57 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 397' ' ' SER . 0.0 OUTLIER 160.81 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.67 66.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 48.14 85.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -66.6 -59.31 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.2 170.81 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.68 68.98 7.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -162.96 72.32 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.94 -57.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -82.92 -33.5 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.514 ' CE ' ' HA ' ' A' ' 407' ' ' MET . 1.1 tpt -51.81 -70.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 407' ' ' MET . 0.2 OUTLIER -38.43 -30.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 407' ' ' MET . 4.3 mm-40 -83.41 -63.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 411' ' ' LYS . 1.0 OUTLIER -50.48 -46.43 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 415' ' ' SER . 4.6 tttp -39.9 -54.17 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -66.16 -40.93 90.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 413' ' ' LEU . 2.6 tm? -53.59 -47.99 69.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.507 HD23 HD12 ' A' ' 413' ' ' LEU . 7.6 mt -80.86 -64.49 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 411' ' ' LYS . 18.4 t 60.71 117.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -123.66 157.56 33.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 72.92 175.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -46.37 -29.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -172.83 -41.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.68 -68.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 59.08 96.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 28.3 t 177.55 148.46 0.34 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.11 21.13 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.791 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -92.34 157.89 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -31.12 10.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -171.52 152.62 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 428' ' ' LYS . 31.6 tp60 -177.61 130.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 429' ' ' THR . 0.0 OUTLIER 44.36 -167.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . 0.493 ' N ' ' CG ' ' A' ' 428' ' ' LYS . 7.0 m -43.26 -80.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -171.35 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.589 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 4.3 t -75.08 148.25 84.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.81 2.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.03 36.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.43 -2.02 47.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 368' ' ' PRO . 2.5 p -148.83 142.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 367' ' ' VAL . 18.4 Cg_endo -74.96 178.11 7.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -50.13 101.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.279 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -151.53 -134.42 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . . . . . . . . . 36.7 m 67.17 130.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.75 ' O ' ' HB3' ' A' ' 373' ' ' ALA . 1.9 ttt 72.58 128.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 372' ' ' MET . . . 91.83 -24.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.66 -29.44 18.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.565 ' H ' HD12 ' A' ' 375' ' ' ILE . 4.3 mp -77.52 -45.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 380' ' ' VAL . 5.5 t -58.43 -56.92 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 373' ' ' ALA . 12.6 mt -50.05 -58.7 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -52.88 -37.45 52.8 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -79.9 -11.86 84.09 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 376' ' ' VAL . 57.3 t -97.92 -41.33 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.05 -64.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.87 -47.97 46.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.603 ' CD1' HD11 ' A' ' 387' ' ' ILE . 0.6 OUTLIER -57.35 -44.54 84.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.763 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 26.3 mt -57.9 -36.3 72.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.17 -54.59 37.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.557 ' HA ' HD23 ' A' ' 389' ' ' LEU . 98.8 m-85 -61.53 -36.94 81.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.603 HD11 ' CD1' ' A' ' 383' ' ' LEU . 3.8 mt -62.72 -38.92 82.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -80.67 -35.35 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.737 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -69.79 -45.48 67.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -54.8 -41.68 76.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 17.9 mm -72.13 -60.6 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.64 -44.45 18.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.4 m-85 -61.98 -39.41 92.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 2.5 m -66.16 -59.56 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 75.1 t -45.73 -56.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -61.27 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 7.4 t 72.78 -69.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.74 131.47 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -89.72 -110.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.414 ' C ' ' N ' ' A' ' 402' ' ' ARG . 47.5 mtm180 -39.0 122.49 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.08 -28.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 400' ' ' ARG . 1.4 mtt180 -151.5 -70.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 0.8 OUTLIER -177.09 66.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' GLN . . . 171.01 -82.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 60.87 -81.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.1 OUTLIER -167.89 55.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.527 ' HE3' ' HD2' ' A' ' 411' ' ' LYS . 0.5 OUTLIER -111.01 -68.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 36.5 t -50.99 -28.58 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 15.0 mp0 -58.27 -66.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.638 HG13 HD23 ' A' ' 413' ' ' LEU . 3.3 tt -46.9 -52.25 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.527 ' HD2' ' HE3' ' A' ' 407' ' ' MET . 0.2 OUTLIER -40.41 -54.53 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 413' ' ' LEU . 19.8 mmt-85 -68.72 -52.67 28.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.233 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.638 HD23 HG13 ' A' ' 410' ' ' ILE . 0.1 OUTLIER -40.2 -47.2 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 416' ' ' GLU . 10.9 mt -79.84 -41.92 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.4 t -39.13 -30.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 414' ' ' LEU . 37.3 mm-40 -138.51 178.48 7.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -113.13 -59.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -115.38 -68.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 15.3 t -171.06 165.39 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.446 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.87 79.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.11 172.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.42 75.86 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -172.31 -62.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.594 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.32 124.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -175.45 142.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -39.07 150.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.9 151.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 17.1 p -128.13 -176.84 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -60.93 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 50.5 m -47.11 109.91 1.17 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 -6.08 15.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 6.0 m -73.76 154.75 89.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.87 32.98 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -156.09 145.48 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . -38.01 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.479 ' HA ' HD23 ' A' ' 374' ' ' LEU . 14.4 p -54.0 -172.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.438 ' CB ' ' O ' ' A' ' 371' ' ' SER . 0.1 OUTLIER 77.86 -53.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.036 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . . . . . . . . . . . -77.64 -22.16 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.3 OUTLIER -63.17 -37.37 86.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.463 ' H ' HD12 ' A' ' 375' ' ' ILE . 3.8 mp -76.91 -43.28 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 380' ' ' VAL . 82.3 t -64.77 -52.31 56.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.93 -52.94 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.56 78.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.55 -14.25 82.2 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 376' ' ' VAL . 73.6 t -95.41 -44.2 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -40.23 -57.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -53.36 -49.28 57.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 383' ' ' LEU . 2.7 mt -57.88 -46.27 85.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.52 -31.11 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.247 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 2.4 tp -59.7 -58.26 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.491 ' HA ' HD23 ' A' ' 389' ' ' LEU . 92.7 m-85 -62.68 -40.25 96.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.28 -38.15 79.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -79.49 -33.01 36.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -72.96 -40.13 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.58 -41.8 95.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 19.4 mm -76.22 -50.54 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . 0.479 ' CZ ' ' HD3' ' A' ' 396' ' ' ARG . 11.1 t80 -50.55 -58.05 6.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 389' ' ' LEU . 3.7 m-30 -48.62 -37.19 17.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.46 -53.08 60.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . 0.68 HG12 ' N ' ' A' ' 396' ' ' ARG . 33.6 t -68.97 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . 0.68 ' N ' HG12 ' A' ' 395' ' ' VAL . 4.8 mtm180 37.5 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 68.9 p -41.22 -62.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -175.01 -64.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.18 151.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.623 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 402' ' ' ARG . 0.1 OUTLIER -47.76 -32.17 5.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 60.85 -81.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 400' ' ' ARG . 3.2 mpp_? -124.08 -172.96 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 404' ' ' ALA . 3.1 mt-30 -75.74 107.77 8.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -179.92 -98.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 400' ' ' ARG . 2.0 mm-40 44.58 -95.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 404' ' ' ALA . 18.6 ttt85 -72.91 -49.96 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 409' ' ' GLN . 0.1 OUTLIER -61.95 174.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . 0.402 ' O ' ' CZ ' ' A' ' 412' ' ' ARG . 1.9 t 69.67 -59.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.053 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 410' ' ' ILE . 1.3 tt0 -68.79 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.719 ' HA ' HD23 ' A' ' 413' ' ' LEU . 0.8 OUTLIER -39.25 -50.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.472 ' N ' ' CG2' ' A' ' 410' ' ' ILE . 0.7 OUTLIER -37.33 -65.75 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 412' ' ' ARG . 0.1 OUTLIER -72.96 -47.38 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.719 HD23 ' HA ' ' A' ' 410' ' ' ILE . 0.1 OUTLIER -39.28 -54.53 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.609 HD11 HG12 ' A' ' 410' ' ' ILE . 10.0 mt -72.05 -42.18 66.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 414' ' ' LEU . 15.7 t -38.56 -72.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -95.24 20.76 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.09 89.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 413' ' ' LEU . 3.6 tmtt? -65.24 135.25 55.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . . . . . . . . . 47.9 p -47.9 110.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 40.1 t -177.42 75.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 41.81 -161.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.95 150.39 60.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.054 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.79 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.74 82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 175.09 85.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.63 124.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -134.5 -96.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 48.61 85.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 2.0 m -43.46 -70.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 30.4 m170 41.02 85.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.589 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -40.84 150.48 0.29 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -46.16 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.97 6.55 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.77 -2.29 56.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.4 156.02 43.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 369' ' ' ARG . 18.2 Cg_endo -75.02 168.14 25.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 368' ' ' PRO . 2.7 ttt180 38.41 90.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' GLY . . . . . . . . . . . . . . . 167.28 98.52 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 374' ' ' LEU . 49.5 m 60.94 145.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' MET . . . . . 0.884 ' O ' HG23 ' A' ' 376' ' ' VAL . 0.4 OUTLIER 81.47 -49.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' ALA . . . . . 0.572 ' O ' HD23 ' A' ' 377' ' ' LEU . . . -81.43 -38.02 27.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 371' ' ' SER . 0.4 OUTLIER -52.2 -38.3 57.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' ILE . . . . . 0.405 ' N ' ' HG ' ' A' ' 374' ' ' LEU . 3.7 mp -77.47 -32.43 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 372' ' ' MET . 70.0 t -65.99 -55.94 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 373' ' ' ALA . 3.1 mm? -40.87 -61.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' GLY . . . . . . . . . . . . . . . -49.3 -38.25 26.16 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' GLY . . . . . . . . . . . . . . . -75.97 -17.21 80.17 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 384' ' ' LEU . 77.4 t -94.11 -42.59 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 380' ' ' VAL . . . -40.14 -61.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' GLY . . . . . . . . . . . . . . . -50.67 -51.59 32.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 383' ' ' LEU . 0.5 OUTLIER -55.77 -47.29 77.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 380' ' ' VAL . 45.4 mt -54.32 -33.54 59.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.56 -62.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' PHE . . . . . 0.685 ' HA ' HD23 ' A' ' 389' ' ' LEU . 82.7 m-85 -58.75 -41.62 86.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 391' ' ' ILE . 3.8 mt -62.43 -42.24 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' GLY . . . . . . . . . . . . . . . -74.2 -31.2 59.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' LEU . . . . . 0.738 ' C ' HD12 ' A' ' 389' ' ' LEU . 0.2 OUTLIER -73.35 -41.97 62.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.26 94.21 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 387' ' ' ILE . 1.3 mp -73.24 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -37.79 -56.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -50.94 -47.32 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 111.047 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -55.58 33.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.9 -45.7 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -60.09 89.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.56 129.24 39.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 116.11 10.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -92.9 126.99 38.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.584 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -38.89 135.57 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 402' ' ' ARG . 5.7 tpt180 -146.28 90.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ARG . . . . . 0.627 ' O ' ' CG ' ' A' ' 403' ' ' GLN . 0.1 OUTLIER 158.84 -24.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.627 ' CG ' ' O ' ' A' ' 402' ' ' ARG . 2.3 pt20 96.06 4.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 406' ' ' ARG . . . -125.98 -92.26 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.66 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -95.13 -38.73 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 8.8 mmm -54.09 -49.3 69.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' SER . . . . . . . . . . . . . 4.0 t -52.13 -21.17 3.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.89 -51.18 3.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ILE . . . . . 0.534 HG23 HD11 ' A' ' 414' ' ' LEU . 4.5 mt -48.6 -49.23 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 410' ' ' ILE . 0.8 OUTLIER -37.47 -35.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 410' ' ' ILE . 11.3 mmt-85 -86.31 -48.83 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' LEU . . . . . 0.827 HD13 ' O ' ' A' ' 413' ' ' LEU . 2.0 tm? -43.58 -30.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' LEU . . . . . 0.534 HD11 HG23 ' A' ' 410' ' ' ILE . 0.6 OUTLIER -103.03 -48.82 3.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.1 m -124.79 83.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.58 -22.85 61.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.55 142.6 58.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 419' ' ' THR . 0.0 OUTLIER -70.67 154.66 41.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 109.244 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 418' ' ' LYS . 2.0 p 38.26 77.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.3 -65.6 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -91.05 -63.24 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.22 154.77 81.75 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -64.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -168.97 175.97 5.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.631 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.47 -59.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.259 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 2.7 t80 53.25 173.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -122.62 -178.38 3.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 146.41 30.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' THR . . . . . . . . . . . . . 21.4 m -143.08 134.84 26.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.373 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.46 172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.28 119.22 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 179.991 . . . . . . . . 0 0 . 1 stop_ save_