data_1f0d_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 1f0d _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.212 0.53 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.536 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -173.88 -166.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 110.653 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.525 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 5.2 mttt -85.5 45.5 1.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.558 -0.714 . . . . 0.0 109.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' ILE . 11.2 tp -86.54 -65.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.916 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.59 -0.694 . . . . 0.0 110.89 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.525 ' CD ' ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -79.47 -4.68 52.33 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.226 -0.921 . . . . 0.0 109.553 179.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -156.56 35.78 0.32 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.408 -0.807 . . . . 0.0 110.195 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 12.2 mt -46.48 -24.66 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.94 . . . . 0.0 109.794 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -50.08 -30.28 16.42 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.2 tt -55.07 -37.78 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.253 -1.145 . . . . 0.0 109.884 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -69.04 -40.12 83.99 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -82.67 -9.54 59.33 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 121.514 0.673 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -68.62 -27.92 66.45 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.81 0.814 . . . . 0.0 109.26 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -20.3 32.32 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.97 -24.75 43.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.538 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -85.04 -33.41 22.5 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.73 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.07 -18.8 52.77 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.68 0.752 . . . . 0.0 109.133 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -82.38 -19.96 38.13 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.818 0.818 . . . . 0.0 109.43 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 16' ' ' SER . 48.8 m-85 -112.74 -115.27 0.32 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.335 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.604 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.147 0.498 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.26 -176.11 3.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.685 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -15.78 3.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.857 . . . . 0.0 110.661 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 tp -74.13 -80.14 0.08 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.361 -0.837 . . . . 0.0 109.99 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -26.67 42.68 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.97 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 17.9 tttm -71.98 -10.09 59.29 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.524 -0.735 . . . . 0.0 109.653 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 36.8 tttt -119.33 -4.49 10.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.706 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.7 mm -71.2 -6.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 110.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.26 50.47 0.81 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.658 -1.258 . . . . 0.0 110.372 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -164.61 -47.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.98 -1.306 . . . . 0.0 110.727 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.579 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.17 -42.49 96.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 8.8 tttt -77.45 -5.07 48.54 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 6.1 t80 -68.04 -45.68 73.27 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.954 0.883 . . . . 0.0 109.936 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 tp -63.99 -24.0 67.55 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.281 -0.968 . . . . 0.0 110.157 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 10.6 m-70 -74.29 -26.6 60.28 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -85.86 -29.93 23.32 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.74 -17.7 58.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -26.05 60.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.17 -12.84 54.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.64 0.733 . . . . 0.0 109.316 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -123.88 73.46 1.21 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.572 -0.705 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.259 0.552 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -85.9 176.02 8.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.202 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -85.49 45.42 1.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.51 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 HD12 ' CD1' ' A' ' 8' ' ' ILE . 12.1 tp -83.7 -77.87 0.24 Allowed 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.73 0.776 . . . . 0.0 110.852 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.27 -25.0 0.33 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.41 0.624 . . . . 0.0 110.662 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 0.64 40.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.393 -0.817 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -148.94 16.47 0.96 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.243 -0.911 . . . . 0.0 109.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' CG2' ' N ' ' A' ' 9' ' ' GLY . 1.9 tp -74.37 -47.24 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.337 -0.852 . . . . 0.0 109.877 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -146.42 15.02 1.64 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.808 -1.187 . . . . 0.0 110.527 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -108.73 -43.98 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.785 -1.421 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -47.46 -33.26 8.19 Favored Glycine 0 C--N 1.288 -2.113 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -80.55 -23.29 40.08 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.91 0.862 . . . . 0.0 109.261 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -60.99 -56.08 25.35 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 122.269 1.033 . . . . 0.0 108.792 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -57.03 -27.03 61.28 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.155 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 33.8 m-70 -73.27 -16.92 61.38 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -80.32 -30.55 38.16 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.679 0.752 . . . . 0.0 109.209 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -20.06 59.52 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -30.79 62.72 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -10.3 56.53 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.711 0.767 . . . . 0.0 109.393 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -123.2 -89.6 0.59 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.578 -0.701 . . . . 0.0 110.305 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.322 0.582 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 59.4 p-90 -113.96 47.16 1.22 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 122.113 0.958 . . . . 0.0 109.42 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 10.1 mttt -76.55 44.42 0.36 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.937 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.82 -65.39 0.59 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 110.218 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.12 -30.59 11.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.672 0.749 . . . . 0.0 110.107 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -77.3 0.83 20.69 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.711 -0.618 . . . . 0.0 109.797 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -117.72 -7.52 10.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.846 . . . . 0.0 110.2 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -59.46 -30.15 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 109.513 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.27 70.04 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.1 tt -156.62 -42.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.266 -1.138 . . . . 0.0 110.15 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -67.23 -45.41 80.92 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.9 OUTLIER -78.59 -14.57 59.26 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.874 0.845 . . . . 0.0 108.999 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.33 -21.73 50.59 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 108.884 178.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -76.17 -25.09 54.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.043 178.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 13.9 m-70 -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -75.65 -39.19 58.11 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.43 64.76 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -25.15 58.86 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.884 0.85 . . . . 0.0 108.87 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -17.43 58.49 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.81 0.814 . . . . 0.0 109.071 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.15 -177.18 3.15 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.764 -0.585 . . . . 0.0 110.159 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.226 0.536 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -80.62 -163.71 0.61 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.1 -1.0 . . . . 0.0 109.738 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -85.23 11.72 9.44 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.598 -0.689 . . . . 0.0 109.95 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.4 tp -46.76 -51.06 17.13 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.46 -0.775 . . . . 0.0 110.507 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -21.61 48.0 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.515 0.674 . . . . 0.0 110.442 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 3' ' ' LYS . 4.1 tmmt? -83.37 6.74 18.87 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.547 -0.721 . . . . 0.0 110.233 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -138.92 4.63 2.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.142 -0.974 . . . . 0.0 110.849 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.7 mm -77.88 -4.94 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 110.134 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.5 23.25 16.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.547 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 9.3 tp -128.69 -42.24 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -1.218 . . . . 0.0 110.11 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.525 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -69.33 -50.55 32.02 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 107.618 -2.193 . . . . 0.0 107.618 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 31.5 mmtt -74.93 -12.65 60.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 3.3 t80 -67.05 -50.3 62.37 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.714 0.768 . . . . 0.0 109.602 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.78 -30.76 71.77 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.619 -0.832 . . . . 0.0 108.977 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 2.7 m-70 -69.21 -24.47 64.03 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -80.4 -30.06 37.78 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.53 -28.88 68.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.54 59.54 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.908 0.861 . . . . 0.0 108.682 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 -21.69 28.31 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.733 0.778 . . . . 0.0 109.687 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -114.07 5.15 15.92 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.79 -0.569 . . . . 0.0 110.367 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.435 ' HB3' ' HE2' ' A' ' 1' ' ' LYS . 8.6 ttpt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.364 0.602 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' O ' HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -119.07 -162.28 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' HE3' ' HD3' ' A' ' 6' ' ' LYS . 29.5 mmmt -84.17 37.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -0.902 . . . . 0.0 109.901 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.6 pt? -62.66 -12.88 26.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -0.799 . . . . 0.0 111.458 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -83.99 -26.62 29.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.297 -0.877 . . . . 0.0 111.005 -179.081 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HD3' ' HE3' ' A' ' 3' ' ' LYS . 4.6 ttpt -77.43 1.22 19.78 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.47 -0.769 . . . . 0.0 110.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -40.81 2.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.57 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 1.7 pp -70.17 -46.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.785 -0.572 . . . . 0.0 111.475 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' N ' HD12 ' A' ' 8' ' ' ILE . . . -162.16 109.08 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 1.7 tp -142.18 -46.4 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -1.066 . . . . 0.0 109.585 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.75 -48.14 57.3 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -75.47 -12.99 60.35 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.737 -0.86 . . . . 0.0 108.72 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.25 -34.33 73.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.805 0.812 . . . . 0.0 109.682 179.371 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -61.82 -49.53 75.93 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.655 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -55.3 -25.65 35.61 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -81.49 -35.68 30.17 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -67.85 -18.07 64.7 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 13.4 tptm -80.71 -21.41 41.26 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.687 0.756 . . . . 0.0 109.303 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -86.16 -19.63 29.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.519 -0.738 . . . . 0.0 110.137 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 16' ' ' SER . 3.5 m-85 -110.19 100.83 9.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.521 -0.737 . . . . 0.0 110.076 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.525 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.187 0.518 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.534 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 174.67 -162.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.188 -0.945 . . . . 0.0 110.705 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -83.57 42.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.529 -0.732 . . . . 0.0 110.76 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD2' ' HB3' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -73.7 -12.94 60.88 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.1 -1.0 . . . . 0.0 110.123 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.7 m-30 -66.93 -27.02 67.14 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.65 0.738 . . . . 0.0 110.732 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.83 -8.81 47.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.687 -0.633 . . . . 0.0 110.922 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -109.13 -12.73 14.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.088 -1.007 . . . . 0.0 109.99 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -67.93 -16.7 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.427 -0.795 . . . . 0.0 109.472 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 92.6 0.13 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 11.0 tt -152.34 -41.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -1.121 . . . . 0.0 110.312 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.52 -45.37 90.2 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 14.5 tttm -85.17 -8.54 58.55 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.888 -0.772 . . . . 0.0 109.664 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -73.82 -28.1 61.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.32 -39.38 71.42 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -64.63 -21.39 66.71 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -84.83 -37.35 20.83 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.14 59.97 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -80.44 -15.62 56.35 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -83.7 -17.3 41.79 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.473 0.654 . . . . 0.0 109.633 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 16' ' ' SER . 15.6 m-85 -111.44 -112.97 0.33 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.448 -0.783 . . . . 0.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.237 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' C ' ' CG ' ' A' ' 2' ' ' TRP . 11.2 tppt? . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 121.21 0.529 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 16.4 m95 -152.49 -158.02 0.85 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.225 -0.922 . . . . 0.0 110.607 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -85.5 44.5 1.11 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.339 0.59 . . . . 0.0 109.686 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -74.31 1.29 11.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -0.849 . . . . 0.0 110.371 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -70.95 -44.96 64.99 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.152 -0.968 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.05 -6.93 14.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.559 -0.713 . . . . 0.0 110.574 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' O ' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -113.23 -2.9 13.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 110.41 179.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -67.64 -16.42 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.249 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.83 53.56 0.97 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.485 HG21 ' O ' ' A' ' 7' ' ' LYS . 17.9 tt -135.07 -40.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -1.146 . . . . 0.0 109.946 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -70.5 -41.54 66.05 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 107.804 -2.118 . . . . 0.0 107.804 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -77.07 -15.81 59.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.404 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -54.45 -29.53 49.89 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.722 0.773 . . . . 0.0 109.211 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.23 -30.12 69.11 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.026 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 2.1 m-70 -60.29 -23.52 64.22 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.458 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -77.7 -35.87 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.466 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 20' ' ' PHE . . . -67.96 -22.09 65.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 15' ' ' HIS . 1.5 ttpt -73.82 -44.32 56.11 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.917 0.865 . . . . 0.0 108.986 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 3.4 pttt -86.15 5.18 35.14 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.473 0.654 . . . . 0.0 109.8 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -44.59 172.07 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.538 -0.727 . . . . 0.0 110.587 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.266 0.555 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.492 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.7 t-105 -162.16 -170.54 2.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.352 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 20.07 2.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.96 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 3.6 tp -46.28 -29.18 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.379 -0.826 . . . . 0.0 110.708 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -21.74 66.2 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.585 -0.697 . . . . 0.0 111.65 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -80.36 0.65 32.18 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.223 -0.923 . . . . 0.0 110.192 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 4' ' ' LEU . 15.8 mtmt -123.35 1.22 9.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.31 -0.868 . . . . 0.0 109.677 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.8 mm -75.14 -16.82 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.534 -0.729 . . . . 0.0 109.931 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.64 8.47 40.17 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -162.18 -42.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -1.219 . . . . 0.0 110.523 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -62.07 -39.36 97.51 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 22.2 tptt -84.65 -9.89 57.84 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.498 0.665 . . . . 0.0 109.722 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.487 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.4 m-30 -76.52 -29.14 56.64 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.78 0.8 . . . . 0.0 109.758 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -74.85 -30.92 61.5 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -66.96 -22.39 65.93 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 1.6 t -82.85 -33.27 27.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -18.65 44.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.531 -0.731 . . . . 0.0 109.144 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.87 -27.68 24.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.041 0.924 . . . . 0.0 109.124 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 2.3 m-85 -111.34 141.57 44.71 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.986 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -172.95 -178.87 1.91 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.073 -1.017 . . . . 0.0 110.525 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.2 tttm -56.14 -84.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -38.73 -27.78 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.484 0.659 . . . . 0.0 110.796 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -78.77 -36.94 42.23 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.388 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' LYS . 18.3 tttt -70.51 -9.12 55.83 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.665 0.745 . . . . 0.0 109.223 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -91.58 -22.45 20.32 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.787 0.803 . . . . 0.0 109.479 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.6 mm -85.36 -6.05 10.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.634 -0.666 . . . . 0.0 109.764 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -124.76 27.05 5.53 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -88.1 -27.6 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.514 -0.992 . . . . 0.0 110.474 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.85 -33.03 34.88 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 9.5 ptpt -82.59 -8.12 59.62 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.859 0.838 . . . . 0.0 109.24 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.7 t80 -75.84 -50.28 15.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 14' ' ' LEU . 6.2 tp -69.27 -14.2 62.82 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.83 -27.18 66.48 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 177.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 5.1 t -68.69 -35.05 76.7 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.791 0.805 . . . . 0.0 108.841 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.44 62.77 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.633 0.73 . . . . 0.0 109.105 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 4.3 mtpm? -78.15 -22.94 48.0 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.5 mmtp -82.5 -21.42 35.49 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.843 0.83 . . . . 0.0 109.22 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 11.9 m-30 -114.24 -142.09 0.38 Allowed 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.83 -0.544 . . . . 0.0 110.221 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.283 0.564 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -131.67 176.58 8.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -84.86 -6.67 59.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -85.36 -34.84 21.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.849 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.575 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -58.26 -23.33 55.73 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.639 0.733 . . . . 0.0 110.658 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -71.82 -0.67 11.75 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.577 -0.702 . . . . 0.0 110.628 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -146.95 21.75 1.25 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 4' ' ' LEU . 9.8 mm -78.43 -57.77 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.45 53.09 0.35 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 13.6 tt -164.89 -42.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.484 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -69.7 -46.91 51.86 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -72.73 -13.1 61.26 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.127 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.857 0.837 . . . . 0.0 109.309 179.236 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.5 mm? -70.89 -21.02 62.44 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-70 -75.17 -21.03 59.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 5.1 t -82.77 -32.09 27.97 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -70.34 -25.15 63.16 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -45.83 44.44 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.042 0.925 . . . . 0.0 108.785 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' PHE . 19.8 ptmt -86.58 5.85 33.67 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.349 0.595 . . . . 0.0 109.751 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 9.7 p90 -44.52 173.19 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.47 -0.769 . . . . 0.0 110.662 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.519 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.5 ptmt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.306 0.574 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.519 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 22.3 t-105 -87.68 165.22 15.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 110.318 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -85.03 46.7 1.3 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -52.13 -52.81 49.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.426 -0.796 . . . . 0.0 110.646 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -28.15 37.15 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.445 -0.784 . . . . 0.0 110.3 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -2.34 30.39 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.767 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -111.28 -5.82 14.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.355 -0.84 . . . . 0.0 109.974 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.7 mm -84.92 -23.18 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.74 92.09 0.36 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 11' ' ' GLY . 10.8 tt -149.98 -44.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 0.0 110.166 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -74.12 -43.27 33.49 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 107.922 -2.071 . . . . 0.0 107.922 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -80.21 -12.32 59.65 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -28.71 68.22 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.698 0.761 . . . . 0.0 109.005 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' HE2' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -77.89 -24.53 48.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.089 179.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 10.1 m-70 -71.43 -23.01 61.77 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.543 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.6 t -84.48 -34.99 23.27 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.3 -12.78 60.02 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.734 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -82.73 -28.02 30.75 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 16.7 tttp -85.35 -5.98 59.27 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.787 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 16' ' ' SER . 25.1 m-85 -125.12 -127.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 110.333 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.711 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.292 0.567 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -101.39 -165.55 1.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 0.0 110.441 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -81.67 47.92 1.13 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 0.0 109.874 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ILE . 3.4 pp -67.34 -5.2 13.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.414 -0.804 . . . . 0.0 110.634 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.537 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 13.0 m-85 -72.51 -38.93 67.97 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.962 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.75 -1.05 20.29 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.464 0.65 . . . . 0.0 109.525 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.06 28.71 0.67 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.48 -0.762 . . . . 0.0 110.004 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.537 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 47.6 mt -43.33 -26.05 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.816 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -75.43 -78.1 0.67 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.3 tp -61.79 -27.07 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -1.074 . . . . 0.0 110.236 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.83 -31.48 4.04 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -23.37 28.1 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.797 0.808 . . . . 0.0 109.955 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.32 -30.34 69.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.641 0.734 . . . . 0.0 110.021 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tp -75.36 -32.83 60.96 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.195 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.419 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 52.5 m-70 -65.43 -21.92 66.71 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 2.6 t -80.46 -35.09 35.37 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.97 -21.02 64.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -45.38 19.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.993 0.901 . . . . 0.0 108.936 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 8.6 pttt -85.83 -4.98 59.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.428 0.632 . . . . 0.0 110.104 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -44.01 148.38 0.41 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.501 -0.749 . . . . 0.0 110.427 179.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.258 0.551 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.01 176.76 5.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.218 -0.926 . . . . 0.0 110.309 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -85.35 25.47 1.01 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.763 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 8' ' ' ILE . 2.1 pp -71.14 -16.65 62.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.033 -1.042 . . . . 0.0 109.896 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 1.2 m-85 -74.53 -22.93 58.78 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.704 0.764 . . . . 0.0 110.577 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -9.65 8.4 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 43.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.229 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -63.24 -46.63 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 110.378 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -161.08 21.14 0.22 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -63.51 -40.84 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.053 -1.263 . . . . 0.0 109.708 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.473 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.88 -45.4 88.39 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 23.6 ttpp -77.97 -4.69 48.27 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -72.51 -40.42 66.84 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.468 -0.77 . . . . 0.0 109.325 179.338 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -65.4 -25.03 67.37 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.001 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.84 -28.32 69.4 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 177.08 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -33.9 65.81 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -56.33 -35.43 67.6 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -23.22 64.67 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -7.79 58.61 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.489 0.661 . . . . 0.0 109.414 179.101 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 22.8 m-85 -126.42 64.9 1.25 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.42 -0.8 . . . . 0.0 110.053 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.591 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.113 0.482 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.591 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 12.9 m95 -127.99 -156.68 0.77 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.147 -0.971 . . . . 0.0 110.975 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -67.92 -9.15 42.77 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.163 0.506 . . . . 0.0 111.194 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 8' ' ' ILE . 10.2 tp -64.48 -79.52 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.22 -0.925 . . . . 0.0 110.283 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -48.41 -26.21 1.98 Allowed 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 121.73 0.776 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -8.58 11.81 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.633 -0.667 . . . . 0.0 110.986 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.34 2.53 2.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.15 -0.969 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 4' ' ' LEU . 32.3 mm -85.62 -45.76 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -151.28 34.6 0.91 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 HG21 ' N ' ' A' ' 11' ' ' GLY . 4.8 tt -46.3 -33.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -1.149 . . . . 0.0 109.561 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' N ' HG21 ' A' ' 10' ' ' ILE . . . -73.51 -39.25 50.51 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 19.3 mtmt -80.41 -7.98 59.34 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.1 OUTLIER -70.08 -28.61 65.57 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.719 0.771 . . . . 0.0 109.829 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -73.34 -23.76 60.27 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.941 -0.704 . . . . 0.0 109.594 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 34.2 m-70 -77.34 -19.06 56.86 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -80.82 -38.02 29.1 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -18.5 64.29 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -27.67 60.57 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.742 0.782 . . . . 0.0 109.633 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -80.01 -29.05 39.35 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.623 0.725 . . . . 0.0 110.137 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 16' ' ' SER . 6.4 m-85 -107.66 97.51 7.23 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.747 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' TRP . 5.3 mttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.197 0.522 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' LYS . 11.3 t-105 -42.26 162.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 0.0 110.128 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.89 -2.11 57.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.171 -0.956 . . . . 0.0 110.54 -179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tp -68.61 -73.08 0.16 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.54 ' CD1' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -54.64 -23.4 17.05 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.841 0.829 . . . . 0.0 109.763 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -75.0 2.68 9.9 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.799 -0.563 . . . . 0.0 110.744 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 32.4 mtpt -136.81 5.85 2.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.053 -1.029 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 5' ' ' PHE . 16.5 mt -64.86 -17.16 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.021 . . . . 0.0 110.128 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.638 ' CA ' ' CE1' ' A' ' 13' ' ' PHE . . . -87.17 64.19 3.88 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 17.2 tt -158.35 -41.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 0.0 110.073 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -76.49 -41.85 23.95 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 107.842 -2.103 . . . . 0.0 107.842 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -84.85 -7.87 59.01 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE1' ' CA ' ' A' ' 9' ' ' GLY . 3.3 m-85 -76.85 -36.51 56.77 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.69 -21.97 59.11 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -22.81 62.12 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.43 -45.99 18.39 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.288 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.7 -19.43 63.57 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.381 -0.928 . . . . 0.0 108.525 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -79.86 -18.24 51.24 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.63 -18.77 47.09 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.69 0.757 . . . . 0.0 109.387 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 16' ' ' SER . 27.6 m-85 -105.52 -137.65 0.36 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.72 -0.613 . . . . 0.0 110.41 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.348 0.594 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -170.1 -174.52 1.77 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.443 -0.786 . . . . 0.0 109.224 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 3.4 pttm -85.29 39.42 0.78 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.04 . . . . 0.0 110.375 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -31.26 68.96 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.688 0.756 . . . . 0.0 109.921 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.495 ' CD1' HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -61.0 -28.74 69.25 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.766 0.793 . . . . 0.0 109.307 179.652 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -10.78 59.73 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -95.25 -7.3 39.29 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.388 0.613 . . . . 0.0 109.94 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.495 HD11 ' CD1' ' A' ' 5' ' ' PHE . 2.4 mt -84.84 -39.89 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . . . -60.82 -16.74 47.74 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 108.81 -1.716 . . . . 0.0 108.81 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG21 ' N ' ' A' ' 11' ' ' GLY . 0.9 OUTLIER -119.12 -38.26 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.421 -1.047 . . . . 0.0 109.481 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' N ' HG21 ' A' ' 10' ' ' ILE . . . -65.11 -41.07 97.26 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 108.201 -1.959 . . . . 0.0 108.201 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 27.3 tttp -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CD1' ' O ' ' A' ' 9' ' ' GLY . 0.1 OUTLIER -63.02 -31.87 73.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.733 0.778 . . . . 0.0 109.483 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.39 -30.79 66.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 8.9 m-70 -69.8 -20.7 63.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -83.44 -39.0 21.14 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.054 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.94 -22.0 61.53 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -81.23 -18.93 44.36 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -85.79 -13.65 47.52 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.57 0.7 . . . . 0.0 109.677 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 3.1 m-85 -107.16 -128.78 0.27 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.74 -1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.287 0.565 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -118.61 -165.4 1.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 110.122 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 45.78 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.337 -0.852 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 8' ' ' ILE . 6.1 tp -73.03 -25.01 60.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.506 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 9.4 m-85 -70.22 -42.79 71.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.538 -0.726 . . . . 0.0 110.243 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -70.61 -5.55 30.21 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.561 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.64 30.62 1.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.366 -0.834 . . . . 0.0 110.077 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 10' ' ' ILE . 28.0 mt -45.9 -24.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.648 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.07 65.09 0.14 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -150.14 -37.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.419 -1.048 . . . . 0.0 110.169 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' N ' HG21 ' A' ' 10' ' ' ILE . . . -61.81 -37.13 93.81 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.888 -2.085 . . . . 0.0 107.888 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 15.0 ptmt -81.31 -16.16 53.26 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.694 0.759 . . . . 0.0 109.14 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.24 -27.41 63.94 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.688 0.756 . . . . 0.0 109.126 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.9 -25.4 62.76 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.896 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 5.4 m-70 -64.36 -24.79 67.76 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.4 t -80.43 -31.67 37.49 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.45 61.93 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -77.94 -19.59 54.31 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 7.9 tttp -85.74 -13.95 46.77 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.498 0.665 . . . . 0.0 109.861 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 13.8 m-85 -119.37 22.9 11.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.562 -0.711 . . . . 0.0 110.398 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.213 0.53 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.48 -166.78 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.256 -0.903 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -84.52 10.28 11.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.51 -37.28 19.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.466 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.548 ' HA ' HG13 ' A' ' 8' ' ' ILE . 1.4 m-85 -57.42 -24.63 56.72 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.716 0.77 . . . . 0.0 109.624 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.0 -8.3 36.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.53 0.681 . . . . 0.0 109.531 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -160.34 49.34 0.27 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.722 . . . . 0.0 109.701 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.548 HG13 ' HA ' ' A' ' 5' ' ' PHE . 32.4 mt -45.3 -26.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.71 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.88 71.2 0.12 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 8' ' ' ILE . 1.6 tp -159.98 -42.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.277 -1.131 . . . . 0.0 110.704 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.411 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.58 -47.19 79.83 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -85.11 -6.56 59.3 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.813 -0.816 . . . . 0.0 109.509 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -74.79 -30.34 61.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.375 -0.828 . . . . 0.0 109.087 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.83 -33.73 34.41 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.651 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 0.7 OUTLIER -68.87 -22.44 64.2 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 4.1 t -84.48 -34.79 23.31 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -23.72 65.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 2.4 mtmt -78.56 -36.64 44.26 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.593 0.711 . . . . 0.0 109.973 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 16' ' ' SER . 9.1 m-85 -106.1 -159.64 0.71 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.275 0.56 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -165.11 1.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.4 -0.813 . . . . 0.0 109.777 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -85.87 -34.65 20.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.344 -0.847 . . . . 0.0 111.22 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.1 pp -61.21 -13.14 16.03 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.508 -0.745 . . . . 0.0 111.186 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.522 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.8 m-85 -83.23 -30.96 27.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.735 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 5.54 19.75 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.645 -0.659 . . . . 0.0 109.358 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -155.85 25.64 0.38 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.46 -0.775 . . . . 0.0 109.957 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 45.1 mt -47.41 -24.15 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.069 -1.019 . . . . 0.0 109.574 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.85 -17.38 65.1 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 7' ' ' LYS . 6.7 tt -66.49 -25.71 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.59 -0.947 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -48.59 -30.08 8.22 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.55 -24.81 27.1 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 122.171 0.986 . . . . 0.0 109.048 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 12.2 t80 -61.54 -45.08 95.67 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.947 0.88 . . . . 0.0 109.401 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 tp -64.15 -23.89 67.49 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.528 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.8 m-70 -71.93 -25.76 62.02 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.53 ' OG ' ' CE2' ' A' ' 20' ' ' PHE . 8.4 t -80.68 -28.8 36.66 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.62 69.24 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 2.4 pttp -69.28 -27.92 65.83 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.794 0.806 . . . . 0.0 109.179 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -77.03 -23.57 52.13 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.65 0.738 . . . . 0.0 110.152 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 1.7 m-30 -107.09 118.32 36.39 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.605 -0.684 . . . . 0.0 110.065 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.775 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.212 0.53 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.543 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -173.88 -166.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 110.653 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 5.2 mttt -85.5 45.5 1.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.558 -0.714 . . . . 0.0 109.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' ILE . 11.2 tp -86.54 -65.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.916 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.59 -0.694 . . . . 0.0 110.89 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' CD ' ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -79.47 -4.68 52.33 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.226 -0.921 . . . . 0.0 109.553 179.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.619 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -156.56 35.78 0.32 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.408 -0.807 . . . . 0.0 110.195 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 5' ' ' PHE . 12.2 mt -46.48 -24.66 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.94 . . . . 0.0 109.794 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -50.08 -30.28 16.42 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 7' ' ' LYS . 1.2 tt -55.07 -37.78 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.253 -1.145 . . . . 0.0 109.884 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.04 -40.12 83.99 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -82.67 -9.54 59.33 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 121.514 0.673 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -68.62 -27.92 66.45 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.81 0.814 . . . . 0.0 109.26 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.31 -20.3 32.32 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 12.6 t60 -78.97 -24.75 43.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.538 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -85.04 -33.41 22.5 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.73 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.07 -18.8 52.77 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.68 0.752 . . . . 0.0 109.133 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 7.1 mmtt -82.38 -19.96 38.13 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.818 0.818 . . . . 0.0 109.43 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 16' ' ' SER . 48.8 m-85 -112.74 -115.27 0.32 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.335 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.604 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.147 0.498 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.498 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.26 -176.11 3.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.685 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -15.78 3.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.857 . . . . 0.0 110.661 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 tp -74.13 -80.14 0.08 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.361 -0.837 . . . . 0.0 109.99 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -26.67 42.68 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.97 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 17.9 tttm -71.98 -10.09 59.29 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.524 -0.735 . . . . 0.0 109.653 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 36.8 tttt -119.33 -4.49 10.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.706 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.7 mm -71.2 -6.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 110.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.26 50.47 0.81 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.658 -1.258 . . . . 0.0 110.372 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -164.61 -47.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.98 -1.306 . . . . 0.0 110.727 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.579 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.17 -42.49 96.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -77.45 -5.07 48.54 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 6.1 t80 -68.04 -45.68 73.27 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.954 0.883 . . . . 0.0 109.936 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' ' 14' ' ' LEU . 7.5 tp -63.99 -24.0 67.55 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.281 -0.968 . . . . 0.0 110.157 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -74.29 -26.6 60.28 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -85.86 -29.93 23.32 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.74 -17.7 58.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -26.05 60.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.17 -12.84 54.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.64 0.733 . . . . 0.0 109.316 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -123.88 73.46 1.21 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.572 -0.705 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.259 0.552 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -85.9 176.02 8.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.202 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -85.49 45.42 1.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.51 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.786 ' HG ' HD13 ' A' ' 8' ' ' ILE . 12.1 tp -83.7 -77.87 0.24 Allowed 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.73 0.776 . . . . 0.0 110.852 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.27 -25.0 0.33 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.41 0.624 . . . . 0.0 110.662 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 0.64 40.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.393 -0.817 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -148.94 16.47 0.96 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.243 -0.911 . . . . 0.0 109.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 4' ' ' LEU . 1.9 tp -74.37 -47.24 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.337 -0.852 . . . . 0.0 109.877 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -146.42 15.02 1.64 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.808 -1.187 . . . . 0.0 110.527 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.576 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -108.73 -43.98 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.785 -1.421 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -47.46 -33.26 8.19 Favored Glycine 0 C--N 1.288 -2.113 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -80.55 -23.29 40.08 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.91 0.862 . . . . 0.0 109.261 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -60.99 -56.08 25.35 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 122.269 1.033 . . . . 0.0 108.792 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -57.03 -27.03 61.28 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.155 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 19.9 m170 -73.27 -16.92 61.38 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -80.32 -30.55 38.16 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.679 0.752 . . . . 0.0 109.209 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -20.06 59.52 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -30.79 62.72 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -10.3 56.53 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.711 0.767 . . . . 0.0 109.393 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -123.2 -89.6 0.59 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.578 -0.701 . . . . 0.0 110.305 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.322 0.582 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 59.4 p-90 -113.96 47.16 1.22 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 122.113 0.958 . . . . 0.0 109.42 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HG2' ' HD2' ' A' ' 6' ' ' LYS . 10.1 mttt -76.55 44.42 0.36 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.937 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.82 -65.39 0.59 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 110.218 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.12 -30.59 11.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.672 0.749 . . . . 0.0 110.107 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HD2' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -77.3 0.83 20.69 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.711 -0.618 . . . . 0.0 109.797 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -117.72 -7.52 10.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.846 . . . . 0.0 110.2 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -59.46 -30.15 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 109.513 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.27 70.04 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 11' ' ' GLY . 1.1 tt -156.62 -42.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.266 -1.138 . . . . 0.0 110.15 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.587 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -67.23 -45.41 80.92 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.9 OUTLIER -78.59 -14.57 59.26 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.874 0.845 . . . . 0.0 108.999 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.33 -21.73 50.59 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 108.884 178.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -25.09 54.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.043 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 13.9 m-70 -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -75.65 -39.19 58.11 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.43 64.76 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -25.15 58.86 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.884 0.85 . . . . 0.0 108.87 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -17.43 58.49 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.81 0.814 . . . . 0.0 109.071 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.15 -177.18 3.15 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.764 -0.585 . . . . 0.0 110.159 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.226 0.536 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -80.62 -163.71 0.61 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.1 -1.0 . . . . 0.0 109.738 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -85.23 11.72 9.44 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.598 -0.689 . . . . 0.0 109.95 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 8' ' ' ILE . 11.4 tp -46.76 -51.06 17.13 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.46 -0.775 . . . . 0.0 110.507 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -21.61 48.0 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.515 0.674 . . . . 0.0 110.442 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 3' ' ' LYS . 4.1 tmmt? -83.37 6.74 18.87 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.547 -0.721 . . . . 0.0 110.233 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -138.92 4.63 2.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.142 -0.974 . . . . 0.0 110.849 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.7 mm -77.88 -4.94 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 110.134 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.5 23.25 16.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 7' ' ' LYS . 9.3 tp -128.69 -42.24 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -1.218 . . . . 0.0 110.11 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.33 -50.55 32.02 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 107.618 -2.193 . . . . 0.0 107.618 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -74.93 -12.65 60.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 3.3 t80 -67.05 -50.3 62.37 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.714 0.768 . . . . 0.0 109.602 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -64.78 -30.76 71.77 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.619 -0.832 . . . . 0.0 108.977 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.638 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.9 m170 -69.21 -24.47 64.03 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -80.4 -30.06 37.78 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.53 -28.88 68.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.54 59.54 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.908 0.861 . . . . 0.0 108.682 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 -21.69 28.31 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.733 0.778 . . . . 0.0 109.687 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -114.07 5.15 15.92 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.79 -0.569 . . . . 0.0 110.367 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 1' ' ' LYS . 8.6 ttpt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.364 0.602 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -119.07 -162.28 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HE3' ' HD3' ' A' ' 6' ' ' LYS . 29.5 mmmt -84.17 37.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -0.902 . . . . 0.0 109.901 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.73 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -62.66 -12.88 26.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -0.799 . . . . 0.0 111.458 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.622 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -83.99 -26.62 29.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.297 -0.877 . . . . 0.0 111.005 -179.081 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HD3' ' HE3' ' A' ' 3' ' ' LYS . 4.6 ttpt -77.43 1.22 19.78 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.47 -0.769 . . . . 0.0 110.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -40.81 2.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 1.7 pp -70.17 -46.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.785 -0.572 . . . . 0.0 111.475 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' N ' HD12 ' A' ' 8' ' ' ILE . . . -162.16 109.08 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 1.7 tp -142.18 -46.4 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -1.066 . . . . 0.0 109.585 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -67.75 -48.14 57.3 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -75.47 -12.99 60.35 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.737 -0.86 . . . . 0.0 108.72 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.25 -34.33 73.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.805 0.812 . . . . 0.0 109.682 179.371 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.82 -49.53 75.93 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.655 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -55.3 -25.65 35.61 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -81.49 -35.68 30.17 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -18.07 64.7 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 13.4 tptm -80.71 -21.41 41.26 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.687 0.756 . . . . 0.0 109.303 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -86.16 -19.63 29.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.519 -0.738 . . . . 0.0 110.137 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 16' ' ' SER . 3.5 m-85 -110.19 100.83 9.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.521 -0.737 . . . . 0.0 110.076 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.187 0.518 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 174.67 -162.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.188 -0.945 . . . . 0.0 110.705 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -83.57 42.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.529 -0.732 . . . . 0.0 110.76 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -73.7 -12.94 60.88 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.1 -1.0 . . . . 0.0 110.123 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 8' ' ' ILE . 1.7 m-30 -66.93 -27.02 67.14 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.65 0.738 . . . . 0.0 110.732 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.83 -8.81 47.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.687 -0.633 . . . . 0.0 110.922 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -109.13 -12.73 14.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.088 -1.007 . . . . 0.0 109.99 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -67.93 -16.7 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.427 -0.795 . . . . 0.0 109.472 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 92.6 0.13 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.628 HG23 ' N ' ' A' ' 11' ' ' GLY . 11.0 tt -152.34 -41.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -1.121 . . . . 0.0 110.312 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.52 -45.37 90.2 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 14.5 tttm -85.17 -8.54 58.55 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.888 -0.772 . . . . 0.0 109.664 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -73.82 -28.1 61.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.32 -39.38 71.42 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -64.63 -21.39 66.71 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -84.83 -37.35 20.83 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.14 59.97 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -80.44 -15.62 56.35 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -83.7 -17.3 41.79 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.473 0.654 . . . . 0.0 109.633 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 16' ' ' SER . 15.6 m-85 -111.44 -112.97 0.33 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.448 -0.783 . . . . 0.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.237 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' C ' ' CG ' ' A' ' 2' ' ' TRP . 11.2 tppt? . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 121.21 0.529 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 16.4 m95 -152.49 -158.02 0.85 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.225 -0.922 . . . . 0.0 110.607 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -85.5 44.5 1.11 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.339 0.59 . . . . 0.0 109.686 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.066 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -74.31 1.29 11.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -0.849 . . . . 0.0 110.371 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -70.95 -44.96 64.99 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.152 -0.968 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.05 -6.93 14.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.559 -0.713 . . . . 0.0 110.574 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -113.23 -2.9 13.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 110.41 179.658 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.066 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -67.64 -16.42 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.249 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.83 53.56 0.97 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' LYS . 17.9 tt -135.07 -40.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -1.146 . . . . 0.0 109.946 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.602 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -70.5 -41.54 66.05 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 107.804 -2.118 . . . . 0.0 107.804 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -77.07 -15.81 59.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -54.45 -29.53 49.89 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.722 0.773 . . . . 0.0 109.211 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.23 -30.12 69.11 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.026 179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 2.1 m-70 -60.29 -23.52 64.22 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.512 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -77.7 -35.87 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.466 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' PHE . . . -67.96 -22.09 65.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HE2' ' HA ' ' A' ' 15' ' ' HIS . 1.5 ttpt -73.82 -44.32 56.11 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.917 0.865 . . . . 0.0 108.986 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 3.4 pttt -86.15 5.18 35.14 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.473 0.654 . . . . 0.0 109.8 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -44.59 172.07 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.538 -0.727 . . . . 0.0 110.587 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.266 0.555 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.7 t-105 -162.16 -170.54 2.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.352 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 20.07 2.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.96 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 3.6 tp -46.28 -29.18 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.379 -0.826 . . . . 0.0 110.708 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -21.74 66.2 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.585 -0.697 . . . . 0.0 111.65 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -80.36 0.65 32.18 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.223 -0.923 . . . . 0.0 110.192 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 4' ' ' LEU . 15.8 mtmt -123.35 1.22 9.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.31 -0.868 . . . . 0.0 109.677 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mm -75.14 -16.82 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.534 -0.729 . . . . 0.0 109.931 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.64 8.47 40.17 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.625 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -162.18 -42.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -1.219 . . . . 0.0 110.523 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.588 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -62.07 -39.36 97.51 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 22.2 tptt -84.65 -9.89 57.84 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.498 0.665 . . . . 0.0 109.722 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.4 m-30 -76.52 -29.14 56.64 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.78 0.8 . . . . 0.0 109.758 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -74.85 -30.92 61.5 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -66.96 -22.39 65.93 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 1.6 t -82.85 -33.27 27.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -18.65 44.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.531 -0.731 . . . . 0.0 109.144 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.87 -27.68 24.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.041 0.924 . . . . 0.0 109.124 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 2.3 m-85 -111.34 141.57 44.71 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.986 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -172.95 -178.87 1.91 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.073 -1.017 . . . . 0.0 110.525 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.2 tttm -56.14 -84.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -38.73 -27.78 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.484 0.659 . . . . 0.0 110.796 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -78.77 -36.94 42.23 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.388 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' LYS . 18.3 tttt -70.51 -9.12 55.83 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.665 0.745 . . . . 0.0 109.223 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -91.58 -22.45 20.32 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.787 0.803 . . . . 0.0 109.479 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 8' ' ' ILE . 18.6 mm -85.36 -6.05 10.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.634 -0.666 . . . . 0.0 109.764 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -124.76 27.05 5.53 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -88.1 -27.6 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.514 -0.992 . . . . 0.0 110.474 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -51.85 -33.03 34.88 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' HIS . 9.5 ptpt -82.59 -8.12 59.62 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.859 0.838 . . . . 0.0 109.24 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.7 t80 -75.84 -50.28 15.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.2 tp -69.27 -14.2 62.82 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -67.83 -27.18 66.48 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 177.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 5.1 t -68.69 -35.05 76.7 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.791 0.805 . . . . 0.0 108.841 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.44 62.77 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.633 0.73 . . . . 0.0 109.105 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 4.3 mtpm? -78.15 -22.94 48.0 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.5 mmtp -82.5 -21.42 35.49 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.843 0.83 . . . . 0.0 109.22 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 11.9 m-30 -114.24 -142.09 0.38 Allowed 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.83 -0.544 . . . . 0.0 110.221 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.283 0.564 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -131.67 176.58 8.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -84.86 -6.67 59.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -85.36 -34.84 21.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.849 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.012 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -58.26 -23.33 55.73 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.639 0.733 . . . . 0.0 110.658 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -71.82 -0.67 11.75 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.577 -0.702 . . . . 0.0 110.628 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -146.95 21.75 1.25 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' LEU . 9.8 mm -78.43 -57.77 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.45 53.09 0.35 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.599 HG23 ' N ' ' A' ' 11' ' ' GLY . 13.6 tt -164.89 -42.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.7 -46.91 51.86 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -72.73 -13.1 61.26 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.127 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.857 0.837 . . . . 0.0 109.309 179.236 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.5 mm? -70.89 -21.02 62.44 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-70 -75.17 -21.03 59.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 5.1 t -82.77 -32.09 27.97 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -70.34 -25.15 63.16 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -45.83 44.44 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.042 0.925 . . . . 0.0 108.785 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 19.8 ptmt -86.58 5.85 33.67 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.349 0.595 . . . . 0.0 109.751 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 9.7 p90 -44.52 173.19 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.47 -0.769 . . . . 0.0 110.662 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.5 ptmt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.306 0.574 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 22.3 t-105 -87.68 165.22 15.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 110.318 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -85.03 46.7 1.3 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' LEU . 4.3 tp -52.13 -52.81 49.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.426 -0.796 . . . . 0.0 110.646 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -28.15 37.15 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.445 -0.784 . . . . 0.0 110.3 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -2.34 30.39 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.767 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -111.28 -5.82 14.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.355 -0.84 . . . . 0.0 109.974 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 HD11 ' A' ' 4' ' ' LEU . 13.7 mm -84.92 -23.18 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.74 92.09 0.36 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 11' ' ' GLY . 10.8 tt -149.98 -44.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 0.0 110.166 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -74.12 -43.27 33.49 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 107.922 -2.071 . . . . 0.0 107.922 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -80.21 -12.32 59.65 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -60.22 -28.71 68.22 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.698 0.761 . . . . 0.0 109.005 179.155 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -77.89 -24.53 48.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.089 179.206 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 10.1 m-70 -71.43 -23.01 61.77 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.543 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.6 t -84.48 -34.99 23.27 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.3 -12.78 60.02 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.734 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -82.73 -28.02 30.75 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 16.7 tttp -85.35 -5.98 59.27 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.787 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 16' ' ' SER . 25.1 m-85 -125.12 -127.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 110.333 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.711 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.292 0.567 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -101.39 -165.55 1.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 0.0 110.441 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -81.67 47.92 1.13 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 0.0 109.874 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ILE . 3.4 pp -67.34 -5.2 13.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.414 -0.804 . . . . 0.0 110.634 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 13.0 m-85 -72.51 -38.93 67.97 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.962 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.75 -1.05 20.29 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.464 0.65 . . . . 0.0 109.525 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.06 28.71 0.67 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.48 -0.762 . . . . 0.0 110.004 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.583 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 47.6 mt -43.33 -26.05 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.816 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -75.43 -78.1 0.67 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 3.3 tp -61.79 -27.07 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -1.074 . . . . 0.0 110.236 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.83 -31.48 4.04 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -23.37 28.1 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.797 0.808 . . . . 0.0 109.955 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.32 -30.34 69.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.641 0.734 . . . . 0.0 110.021 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 14' ' ' LEU . 1.3 tp -75.36 -32.83 60.96 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.195 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 25.0 m80 -65.43 -21.92 66.71 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.524 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 t -80.46 -35.09 35.37 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.97 -21.02 64.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -45.38 19.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.993 0.901 . . . . 0.0 108.936 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 16' ' ' SER . 8.6 pttt -85.83 -4.98 59.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.428 0.632 . . . . 0.0 110.104 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -44.01 148.38 0.41 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.501 -0.749 . . . . 0.0 110.427 179.428 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.258 0.551 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.01 176.76 5.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.218 -0.926 . . . . 0.0 110.309 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -85.35 25.47 1.01 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.763 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.14 -16.65 62.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.033 -1.042 . . . . 0.0 109.896 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.2 m-85 -74.53 -22.93 58.78 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.704 0.764 . . . . 0.0 110.577 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -9.65 8.4 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 43.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.229 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -63.24 -46.63 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 110.378 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -161.08 21.14 0.22 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -63.51 -40.84 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.053 -1.263 . . . . 0.0 109.708 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.619 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.88 -45.4 88.39 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 23.6 ttpp -77.97 -4.69 48.27 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -72.51 -40.42 66.84 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.468 -0.77 . . . . 0.0 109.325 179.338 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -65.4 -25.03 67.37 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.001 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.84 -28.32 69.4 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 177.08 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -33.9 65.81 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -56.33 -35.43 67.6 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -23.22 64.67 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -7.79 58.61 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.489 0.661 . . . . 0.0 109.414 179.101 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 22.8 m-85 -126.42 64.9 1.25 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.42 -0.8 . . . . 0.0 110.053 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.591 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.113 0.482 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.591 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 12.9 m95 -127.99 -156.68 0.77 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.147 -0.971 . . . . 0.0 110.975 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -67.92 -9.15 42.77 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.163 0.506 . . . . 0.0 111.194 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' HG12 ' A' ' 8' ' ' ILE . 10.2 tp -64.48 -79.52 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.22 -0.925 . . . . 0.0 110.283 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -48.41 -26.21 1.98 Allowed 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 121.73 0.776 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -8.58 11.81 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.633 -0.667 . . . . 0.0 110.986 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.34 2.53 2.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.15 -0.969 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 4' ' ' LEU . 32.3 mm -85.62 -45.76 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -151.28 34.6 0.91 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 4.8 tt -46.3 -33.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -1.149 . . . . 0.0 109.561 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -73.51 -39.25 50.51 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' GLY . 19.3 mtmt -80.41 -7.98 59.34 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.08 -28.61 65.57 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.719 0.771 . . . . 0.0 109.829 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -73.34 -23.76 60.27 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.941 -0.704 . . . . 0.0 109.594 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -77.34 -19.06 56.86 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -80.82 -38.02 29.1 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.721 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -18.5 64.29 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -27.67 60.57 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.742 0.782 . . . . 0.0 109.633 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -80.01 -29.05 39.35 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.623 0.725 . . . . 0.0 110.137 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 16' ' ' SER . 6.4 m-85 -107.66 97.51 7.23 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.747 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' TRP . 5.3 mttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.197 0.522 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' LYS . 11.3 t-105 -42.26 162.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 0.0 110.128 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -84.89 -2.11 57.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.171 -0.956 . . . . 0.0 110.54 -179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tp -68.61 -73.08 0.16 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -54.64 -23.4 17.05 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.841 0.829 . . . . 0.0 109.763 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 3' ' ' LYS . 2.4 mttt -75.0 2.68 9.9 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.799 -0.563 . . . . 0.0 110.744 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 10' ' ' ILE . 32.4 mtpt -136.81 5.85 2.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.053 -1.029 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG13 ' HA ' ' A' ' 5' ' ' PHE . 16.5 mt -64.86 -17.16 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.021 . . . . 0.0 110.128 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.638 ' CA ' ' CE1' ' A' ' 13' ' ' PHE . . . -87.17 64.19 3.88 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 7' ' ' LYS . 17.2 tt -158.35 -41.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 0.0 110.073 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -76.49 -41.85 23.95 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 107.842 -2.103 . . . . 0.0 107.842 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -84.85 -7.87 59.01 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE1' ' CA ' ' A' ' 9' ' ' GLY . 3.3 m-85 -76.85 -36.51 56.77 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -74.69 -21.97 59.11 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -22.81 62.12 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.43 -45.99 18.39 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.288 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.7 -19.43 63.57 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.381 -0.928 . . . . 0.0 108.525 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -79.86 -18.24 51.24 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -80.63 -18.77 47.09 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.69 0.757 . . . . 0.0 109.387 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 16' ' ' SER . 27.6 m-85 -105.52 -137.65 0.36 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.72 -0.613 . . . . 0.0 110.41 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.348 0.594 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -170.1 -174.52 1.77 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.443 -0.786 . . . . 0.0 109.224 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 3.4 pttm -85.29 39.42 0.78 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.04 . . . . 0.0 110.375 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -31.26 68.96 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.688 0.756 . . . . 0.0 109.921 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -61.0 -28.74 69.25 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.766 0.793 . . . . 0.0 109.307 179.652 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -10.78 59.73 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -95.25 -7.3 39.29 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.388 0.613 . . . . 0.0 109.94 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 5' ' ' PHE . 2.4 mt -84.84 -39.89 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . . . -60.82 -16.74 47.74 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 108.81 -1.716 . . . . 0.0 108.81 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -119.12 -38.26 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.421 -1.047 . . . . 0.0 109.481 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.576 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.11 -41.07 97.26 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 108.201 -1.959 . . . . 0.0 108.201 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 27.3 tttp -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.02 -31.87 73.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.733 0.778 . . . . 0.0 109.483 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.39 -30.79 66.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -69.8 -20.7 63.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -83.44 -39.0 21.14 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.94 -22.0 61.53 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -81.23 -18.93 44.36 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -85.79 -13.65 47.52 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.57 0.7 . . . . 0.0 109.677 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 3.1 m-85 -107.16 -128.78 0.27 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.74 -1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.287 0.565 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -118.61 -165.4 1.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 110.122 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 45.78 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.337 -0.852 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 8' ' ' ILE . 6.1 tp -73.03 -25.01 60.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.4 m-85 -70.22 -42.79 71.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.538 -0.726 . . . . 0.0 110.243 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -70.61 -5.55 30.21 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.561 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.64 30.62 1.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.366 -0.834 . . . . 0.0 110.077 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 5' ' ' PHE . 28.0 mt -45.9 -24.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.648 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.07 65.09 0.14 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -150.14 -37.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.419 -1.048 . . . . 0.0 110.169 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -61.81 -37.13 93.81 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.888 -2.085 . . . . 0.0 107.888 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 15.0 ptmt -81.31 -16.16 53.26 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.694 0.759 . . . . 0.0 109.14 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.24 -27.41 63.94 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.688 0.756 . . . . 0.0 109.126 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.9 -25.4 62.76 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.896 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 62.9 m170 -64.36 -24.79 67.76 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.4 t -80.43 -31.67 37.49 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.45 61.93 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -77.94 -19.59 54.31 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 7.9 tttp -85.74 -13.95 46.77 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.498 0.665 . . . . 0.0 109.861 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 13.8 m-85 -119.37 22.9 11.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.562 -0.711 . . . . 0.0 110.398 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.213 0.53 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.48 -166.78 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.256 -0.903 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -84.52 10.28 11.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 4.5 tp -85.51 -37.28 19.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.466 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.619 ' HA ' HG13 ' A' ' 8' ' ' ILE . 1.4 m-85 -57.42 -24.63 56.72 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.716 0.77 . . . . 0.0 109.624 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.0 -8.3 36.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.53 0.681 . . . . 0.0 109.531 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -160.34 49.34 0.27 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.722 . . . . 0.0 109.701 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 5' ' ' PHE . 32.4 mt -45.3 -26.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.71 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.88 71.2 0.12 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.602 HG23 ' N ' ' A' ' 11' ' ' GLY . 1.6 tp -159.98 -42.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.277 -1.131 . . . . 0.0 110.704 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.602 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.58 -47.19 79.83 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -85.11 -6.56 59.3 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.813 -0.816 . . . . 0.0 109.509 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -74.79 -30.34 61.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.375 -0.828 . . . . 0.0 109.087 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.83 -33.73 34.41 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.651 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 0.7 OUTLIER -68.87 -22.44 64.2 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 4.1 t -84.48 -34.79 23.31 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -23.72 65.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 2.4 mtmt -78.56 -36.64 44.26 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.593 0.711 . . . . 0.0 109.973 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 16' ' ' SER . 9.1 m-85 -106.1 -159.64 0.71 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.275 0.56 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -165.11 1.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.4 -0.813 . . . . 0.0 109.777 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -85.87 -34.65 20.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.344 -0.847 . . . . 0.0 111.22 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.1 pp -61.21 -13.14 16.03 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.508 -0.745 . . . . 0.0 111.186 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.554 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.8 m-85 -83.23 -30.96 27.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.735 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 5.54 19.75 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.645 -0.659 . . . . 0.0 109.358 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.823 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -155.85 25.64 0.38 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.46 -0.775 . . . . 0.0 109.957 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.554 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 45.1 mt -47.41 -24.15 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.069 -1.019 . . . . 0.0 109.574 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.85 -17.38 65.1 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.823 HG22 ' O ' ' A' ' 7' ' ' LYS . 6.7 tt -66.49 -25.71 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.59 -0.947 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -48.59 -30.08 8.22 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.55 -24.81 27.1 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 122.171 0.986 . . . . 0.0 109.048 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 12.2 t80 -61.54 -45.08 95.67 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.947 0.88 . . . . 0.0 109.401 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.9 tp -64.15 -23.89 67.49 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.528 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.8 m-70 -71.93 -25.76 62.02 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.524 ' OG ' ' CE2' ' A' ' 20' ' ' PHE . 8.4 t -80.68 -28.8 36.66 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.62 69.24 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 2.4 pttp -69.28 -27.92 65.83 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.794 0.806 . . . . 0.0 109.179 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -77.03 -23.57 52.13 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.65 0.738 . . . . 0.0 110.152 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 1.7 m-30 -107.09 118.32 36.39 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.605 -0.684 . . . . 0.0 110.065 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.775 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 mttm . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.212 0.53 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.543 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -173.88 -166.74 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 110.653 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HA ' ' CD ' ' A' ' 6' ' ' LYS . 5.2 mttt -85.5 45.5 1.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.558 -0.714 . . . . 0.0 109.972 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' ILE . 11.2 tp -86.54 -65.49 1.01 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.344 -0.848 . . . . 0.0 110.916 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -62.94 -29.35 70.73 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.59 -0.694 . . . . 0.0 110.89 -179.079 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' CD ' ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -79.47 -4.68 52.33 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 121.226 -0.921 . . . . 0.0 109.553 179.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.619 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -156.56 35.78 0.32 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.408 -0.807 . . . . 0.0 110.195 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 5' ' ' PHE . 12.2 mt -46.48 -24.66 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.195 -0.94 . . . . 0.0 109.794 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -50.08 -30.28 16.42 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 7' ' ' LYS . 1.2 tt -55.07 -37.78 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.253 -1.145 . . . . 0.0 109.884 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.04 -40.12 83.99 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.421 -1.872 . . . . 0.0 108.421 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -82.67 -9.54 59.33 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-O 121.514 0.673 . . . . 0.0 109.381 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -68.62 -27.92 66.45 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 121.81 0.814 . . . . 0.0 109.26 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.31 -20.3 32.32 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 12.6 t60 -78.97 -24.75 43.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.538 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -85.04 -33.41 22.5 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.52 -19.73 62.88 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.07 -18.8 52.77 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.68 0.752 . . . . 0.0 109.133 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 7.1 mmtt -82.38 -19.96 38.13 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 121.818 0.818 . . . . 0.0 109.43 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 16' ' ' SER . 48.8 m-85 -112.74 -115.27 0.32 Allowed 'General case' 0 C--N 1.297 -1.709 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.335 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.604 -1.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.147 0.498 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.498 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.26 -176.11 3.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.229 -0.919 . . . . 0.0 110.685 -179.714 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.76 -15.78 3.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.33 -0.857 . . . . 0.0 110.661 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 tp -74.13 -80.14 0.08 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.361 -0.837 . . . . 0.0 109.99 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -26.67 42.68 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.97 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 17.9 tttm -71.98 -10.09 59.29 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.524 -0.735 . . . . 0.0 109.653 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 36.8 tttt -119.33 -4.49 10.44 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.481 -0.762 . . . . 0.0 109.706 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.7 mm -71.2 -6.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 110.203 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.26 50.47 0.81 Allowed Glycine 0 N--CA 1.491 2.356 0 C-N-CA 119.658 -1.258 . . . . 0.0 110.372 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -164.61 -47.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 120.98 -1.306 . . . . 0.0 110.727 179.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.579 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -65.17 -42.49 96.41 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.073 -2.011 . . . . 0.0 108.073 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 8.8 tttt -77.45 -5.07 48.54 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 6.1 t80 -68.04 -45.68 73.27 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.954 0.883 . . . . 0.0 109.936 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 14' ' ' LEU . 7.5 tp -63.99 -24.0 67.55 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 119.281 -0.968 . . . . 0.0 110.157 -179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 10.6 m-70 -74.29 -26.6 60.28 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -85.86 -29.93 23.32 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.74 -17.7 58.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -26.05 60.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.17 -12.84 54.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.64 0.733 . . . . 0.0 109.316 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -123.88 73.46 1.21 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.572 -0.705 . . . . 0.0 110.272 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.807 -1.808 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tptm . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.259 0.552 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -85.9 176.02 8.31 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.261 -0.899 . . . . 0.0 110.202 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -85.49 45.42 1.19 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.901 . . . . 0.0 109.51 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.786 ' HG ' HD13 ' A' ' 8' ' ' ILE . 12.1 tp -83.7 -77.87 0.24 Allowed 'General case' 0 N--CA 1.491 1.615 0 CA-C-O 121.73 0.776 . . . . 0.0 110.852 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.27 -25.0 0.33 Allowed 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.41 0.624 . . . . 0.0 110.662 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 0.64 40.74 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.393 -0.817 . . . . 0.0 110.255 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -148.94 16.47 0.96 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.243 -0.911 . . . . 0.0 109.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 4' ' ' LEU . 1.9 tp -74.37 -47.24 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.337 -0.852 . . . . 0.0 109.877 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -146.42 15.02 1.64 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.808 -1.187 . . . . 0.0 110.527 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.576 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.1 tp -108.73 -43.98 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.785 -1.421 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -47.46 -33.26 8.19 Favored Glycine 0 C--N 1.288 -2.113 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -80.55 -23.29 40.08 Favored 'General case' 0 C--N 1.292 -1.926 0 CA-C-O 121.91 0.862 . . . . 0.0 109.261 179.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -60.99 -56.08 25.35 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 122.269 1.033 . . . . 0.0 108.792 178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -57.03 -27.03 61.28 Favored 'General case' 0 C--N 1.289 -2.053 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.155 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 33.8 m-70 -73.27 -16.92 61.38 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -80.32 -30.55 38.16 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.679 0.752 . . . . 0.0 109.209 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -20.06 59.52 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -30.79 62.72 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.34 -10.3 56.53 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.711 0.767 . . . . 0.0 109.393 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -123.2 -89.6 0.59 Allowed 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.578 -0.701 . . . . 0.0 110.305 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.322 0.582 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.529 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 59.4 p-90 -113.96 47.16 1.22 Allowed 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 122.113 0.958 . . . . 0.0 109.42 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.522 ' HG2' ' HD2' ' A' ' 6' ' ' LYS . 10.1 mttt -76.55 44.42 0.36 Allowed 'General case' 0 C--N 1.292 -1.918 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.937 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.82 -65.39 0.59 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.131 -0.981 . . . . 0.0 110.218 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.12 -30.59 11.43 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 121.672 0.749 . . . . 0.0 110.107 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HD2' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -77.3 0.83 20.69 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.711 -0.618 . . . . 0.0 109.797 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -117.72 -7.52 10.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.347 -0.846 . . . . 0.0 110.2 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -59.46 -30.15 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.277 -0.89 . . . . 0.0 109.513 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.27 70.04 0.48 Allowed Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.363 -1.495 . . . . 0.0 109.363 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 ' N ' ' A' ' 11' ' ' GLY . 1.1 tt -156.62 -42.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.266 -1.138 . . . . 0.0 110.15 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.587 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -67.23 -45.41 80.92 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 108.63 -1.788 . . . . 0.0 108.63 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.9 OUTLIER -78.59 -14.57 59.26 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.874 0.845 . . . . 0.0 108.999 178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.33 -21.73 50.59 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.297 -0.877 . . . . 0.0 108.884 178.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -25.09 54.88 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 119.584 -0.847 . . . . 0.0 109.043 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 13.9 m-70 -63.4 -24.8 68.0 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -75.65 -39.19 58.11 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.21 -19.43 64.76 Favored 'General case' 0 C--N 1.298 -1.63 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -25.15 58.86 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-O 121.884 0.85 . . . . 0.0 108.87 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.21 -17.43 58.49 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.81 0.814 . . . . 0.0 109.071 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -117.15 -177.18 3.15 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.764 -0.585 . . . . 0.0 110.159 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.226 0.536 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -80.62 -163.71 0.61 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.1 -1.0 . . . . 0.0 109.738 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -85.23 11.72 9.44 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.598 -0.689 . . . . 0.0 109.95 179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 8' ' ' ILE . 11.4 tp -46.76 -51.06 17.13 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.46 -0.775 . . . . 0.0 110.507 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -21.61 48.0 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-O 121.515 0.674 . . . . 0.0 110.442 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.483 ' HE3' ' HB3' ' A' ' 3' ' ' LYS . 4.1 tmmt? -83.37 6.74 18.87 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.547 -0.721 . . . . 0.0 110.233 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.602 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -138.92 4.63 2.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.142 -0.974 . . . . 0.0 110.849 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.7 mm -77.88 -4.94 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.953 -1.092 . . . . 0.0 110.134 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.5 23.25 16.64 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 7' ' ' LYS . 9.3 tp -128.69 -42.24 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -1.218 . . . . 0.0 110.11 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.589 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.33 -50.55 32.02 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 107.618 -2.193 . . . . 0.0 107.618 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 31.5 mmtt -74.93 -12.65 60.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 3.3 t80 -67.05 -50.3 62.37 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 121.714 0.768 . . . . 0.0 109.602 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -64.78 -30.76 71.77 Favored 'General case' 0 C--N 1.293 -1.852 0 C-N-CA 119.619 -0.832 . . . . 0.0 108.977 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 2.7 m-70 -69.21 -24.47 64.03 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 t -80.4 -30.06 37.78 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.53 -28.88 68.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -20.54 59.54 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.908 0.861 . . . . 0.0 108.682 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.63 -21.69 28.31 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.733 0.778 . . . . 0.0 109.687 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -114.07 5.15 15.92 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.79 -0.569 . . . . 0.0 110.367 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 1' ' ' LYS . 8.6 ttpt . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.364 0.602 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.722 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -119.07 -162.28 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.277 -0.889 . . . . 0.0 110.132 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' HE3' ' HD3' ' A' ' 6' ' ' LYS . 29.5 mmmt -84.17 37.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.257 -0.902 . . . . 0.0 109.901 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.73 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.6 pt? -62.66 -12.88 26.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.421 -0.799 . . . . 0.0 111.458 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.622 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -83.99 -26.62 29.05 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.297 -0.877 . . . . 0.0 111.005 -179.081 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HD3' ' HE3' ' A' ' 3' ' ' LYS . 4.6 ttpt -77.43 1.22 19.78 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.47 -0.769 . . . . 0.0 110.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -40.81 2.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.873 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 1.7 pp -70.17 -46.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.785 -0.572 . . . . 0.0 111.475 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' N ' HD12 ' A' ' 8' ' ' ILE . . . -162.16 109.08 0.37 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 1.7 tp -142.18 -46.4 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -1.066 . . . . 0.0 109.585 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -67.75 -48.14 57.3 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -75.47 -12.99 60.35 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.737 -0.86 . . . . 0.0 108.72 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -60.25 -34.33 73.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.805 0.812 . . . . 0.0 109.682 179.371 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -61.82 -49.53 75.93 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.655 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -55.3 -25.65 35.61 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.518 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -81.49 -35.68 30.17 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 177.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 -18.07 64.7 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 13.4 tptm -80.71 -21.41 41.26 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.687 0.756 . . . . 0.0 109.303 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -86.16 -19.63 29.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.519 -0.738 . . . . 0.0 110.137 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 16' ' ' SER . 3.5 m-85 -110.19 100.83 9.66 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.521 -0.737 . . . . 0.0 110.076 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.187 0.518 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.567 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER 174.67 -162.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.188 -0.945 . . . . 0.0 110.705 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -83.57 42.61 0.85 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.529 -0.732 . . . . 0.0 110.76 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 1' ' ' LYS . 0.7 OUTLIER -73.7 -12.94 60.88 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.1 -1.0 . . . . 0.0 110.123 179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.623 ' HA ' HD13 ' A' ' 8' ' ' ILE . 1.7 m-30 -66.93 -27.02 67.14 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.65 0.738 . . . . 0.0 110.732 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.83 -8.81 47.09 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 121.687 -0.633 . . . . 0.0 110.922 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -109.13 -12.73 14.79 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.088 -1.007 . . . . 0.0 109.99 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD13 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -67.93 -16.7 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.427 -0.795 . . . . 0.0 109.472 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.88 92.6 0.13 Allowed Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.628 HG23 ' N ' ' A' ' 11' ' ' GLY . 11.0 tt -152.34 -41.39 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -1.121 . . . . 0.0 110.312 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.628 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.52 -45.37 90.2 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 14.5 tttm -85.17 -8.54 58.55 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 121.888 -0.772 . . . . 0.0 109.664 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -73.82 -28.1 61.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.46 -0.775 . . . . 0.0 109.237 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.32 -39.38 71.42 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.374 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -64.63 -21.39 66.71 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -84.83 -37.35 20.83 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.14 59.97 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -80.44 -15.62 56.35 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER -83.7 -17.3 41.79 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.473 0.654 . . . . 0.0 109.633 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 16' ' ' SER . 15.6 m-85 -111.44 -112.97 0.33 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.448 -0.783 . . . . 0.0 110.167 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.237 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.531 ' C ' ' CG ' ' A' ' 2' ' ' TRP . 11.2 tppt? . . . . . 0 N--CA 1.495 1.823 0 CA-C-O 121.21 0.529 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' CG ' ' C ' ' A' ' 1' ' ' LYS . 16.4 m95 -152.49 -158.02 0.85 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.225 -0.922 . . . . 0.0 110.607 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -85.5 44.5 1.11 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 121.339 0.59 . . . . 0.0 109.686 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.066 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -74.31 1.29 11.87 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.342 -0.849 . . . . 0.0 110.371 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -70.95 -44.96 64.99 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.152 -0.968 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -66.05 -6.93 14.58 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.559 -0.713 . . . . 0.0 110.574 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.708 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -113.23 -2.9 13.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.113 -0.992 . . . . 0.0 110.41 179.658 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.066 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -67.64 -16.42 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.249 179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.83 53.56 0.97 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 7' ' ' LYS . 17.9 tt -135.07 -40.8 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -1.146 . . . . 0.0 109.946 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.602 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -70.5 -41.54 66.05 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 107.804 -2.118 . . . . 0.0 107.804 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -77.07 -15.81 59.45 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -54.45 -29.53 49.89 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.722 0.773 . . . . 0.0 109.211 179.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.23 -30.12 69.11 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.026 179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' A' ' 18' ' ' LYS . 2.1 m-70 -60.29 -23.52 64.22 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.512 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -77.7 -35.87 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.466 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' PHE . . . -67.96 -22.09 65.05 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HE2' ' HA ' ' A' ' 15' ' ' HIS . 1.5 ttpt -73.82 -44.32 56.11 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 121.917 0.865 . . . . 0.0 108.986 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 3.4 pttt -86.15 5.18 35.14 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-O 121.473 0.654 . . . . 0.0 109.8 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -44.59 172.07 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.538 -0.727 . . . . 0.0 110.587 179.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.266 0.555 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.7 t-105 -162.16 -170.54 2.52 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.352 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 20.07 2.14 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.366 -0.834 . . . . 0.0 109.96 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 3.6 tp -46.28 -29.18 1.52 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.379 -0.826 . . . . 0.0 110.708 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -21.74 66.2 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.585 -0.697 . . . . 0.0 111.65 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -80.36 0.65 32.18 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.223 -0.923 . . . . 0.0 110.192 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HE3' ' HA ' ' A' ' 4' ' ' LEU . 15.8 mtmt -123.35 1.22 9.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.31 -0.868 . . . . 0.0 109.677 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mm -75.14 -16.82 16.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.534 -0.729 . . . . 0.0 109.931 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.64 8.47 40.17 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.625 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -162.18 -42.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.128 -1.219 . . . . 0.0 110.523 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.588 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -62.07 -39.36 97.51 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 12' ' ' LYS . 22.2 tptt -84.65 -9.89 57.84 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.498 0.665 . . . . 0.0 109.722 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.4 m-30 -76.52 -29.14 56.64 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.78 0.8 . . . . 0.0 109.758 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -74.85 -30.92 61.5 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -66.96 -22.39 65.93 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 1.6 t -82.85 -33.27 27.11 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.17 -21.45 62.16 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.45 -18.65 44.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.531 -0.731 . . . . 0.0 109.144 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.87 -27.68 24.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 122.041 0.924 . . . . 0.0 109.124 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 2.3 m-85 -111.34 141.57 44.71 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.986 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.715 -1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 121.199 0.523 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -172.95 -178.87 1.91 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.073 -1.017 . . . . 0.0 110.525 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.2 tttm -56.14 -84.85 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.274 -0.891 . . . . 0.0 110.056 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -38.73 -27.78 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 121.484 0.659 . . . . 0.0 110.796 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -78.77 -36.94 42.23 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.312 -0.867 . . . . 0.0 110.388 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' LYS . 18.3 tttt -70.51 -9.12 55.83 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.665 0.745 . . . . 0.0 109.223 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -91.58 -22.45 20.32 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.787 0.803 . . . . 0.0 109.479 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 8' ' ' ILE . 18.6 mm -85.36 -6.05 10.17 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 121.634 -0.666 . . . . 0.0 109.764 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -124.76 27.05 5.53 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -88.1 -27.6 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.514 -0.992 . . . . 0.0 110.474 -179.827 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.431 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -51.85 -33.03 34.88 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.671 -1.771 . . . . 0.0 108.671 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' HIS . 9.5 ptpt -82.59 -8.12 59.62 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 121.859 0.838 . . . . 0.0 109.24 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.7 t80 -75.84 -50.28 15.58 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 14' ' ' LEU . 6.2 tp -69.27 -14.2 62.82 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -67.83 -27.18 66.48 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 177.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 13' ' ' PHE . 5.1 t -68.69 -35.05 76.7 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.791 0.805 . . . . 0.0 108.841 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.79 -17.44 62.77 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.633 0.73 . . . . 0.0 109.105 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' HIS . 4.3 mtpm? -78.15 -22.94 48.0 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.726 0.774 . . . . 0.0 109.002 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 2.5 mmtp -82.5 -21.42 35.49 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.843 0.83 . . . . 0.0 109.22 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 11.9 m-30 -114.24 -142.09 0.38 Allowed 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.83 -0.544 . . . . 0.0 110.221 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.283 0.564 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -131.67 176.58 8.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.247 -0.908 . . . . 0.0 110.177 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 ptpt -84.86 -6.67 59.35 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.265 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -85.36 -34.84 21.71 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.849 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.012 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -58.26 -23.33 55.73 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-O 121.639 0.733 . . . . 0.0 110.658 -179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -71.82 -0.67 11.75 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.577 -0.702 . . . . 0.0 110.628 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -146.95 21.75 1.25 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.169 -0.957 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 4' ' ' LEU . 9.8 mm -78.43 -57.77 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.301 -0.874 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.45 53.09 0.35 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.009 -1.236 . . . . 0.0 110.009 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.599 HG23 ' N ' ' A' ' 11' ' ' GLY . 13.6 tt -164.89 -42.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -1.211 . . . . 0.0 110.25 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.599 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -69.7 -46.91 51.86 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 107.848 -2.101 . . . . 0.0 107.848 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -72.73 -13.1 61.26 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.127 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.857 0.837 . . . . 0.0 109.309 179.236 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.5 mm? -70.89 -21.02 62.44 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-70 -75.17 -21.03 59.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HA ' ' HG2' ' A' ' 19' ' ' LYS . 5.1 t -82.77 -32.09 27.97 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.538 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -70.34 -25.15 63.16 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -45.83 44.44 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-O 122.042 0.925 . . . . 0.0 108.785 178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' ' HA ' ' A' ' 16' ' ' SER . 19.8 ptmt -86.58 5.85 33.67 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.349 0.595 . . . . 0.0 109.751 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 17' ' ' ALA . 9.7 p90 -44.52 173.19 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.47 -0.769 . . . . 0.0 110.662 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.523 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.5 ptmt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.306 0.574 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.523 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 22.3 t-105 -87.68 165.22 15.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.257 -0.902 . . . . 0.0 110.318 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -85.03 46.7 1.3 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.235 -0.915 . . . . 0.0 109.812 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' LEU . 4.3 tp -52.13 -52.81 49.3 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.426 -0.796 . . . . 0.0 110.646 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 -28.15 37.15 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.445 -0.784 . . . . 0.0 110.3 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.08 -2.34 30.39 Favored 'General case' 0 C--N 1.295 -1.802 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.767 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -111.28 -5.82 14.62 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.355 -0.84 . . . . 0.0 109.974 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 HD11 ' A' ' 4' ' ' LEU . 13.7 mm -84.92 -23.18 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.335 -0.853 . . . . 0.0 110.417 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.74 92.09 0.36 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.566 HG23 ' N ' ' A' ' 11' ' ' GLY . 10.8 tt -149.98 -44.61 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.246 -1.15 . . . . 0.0 110.166 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -74.12 -43.27 33.49 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 107.922 -2.071 . . . . 0.0 107.922 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -80.21 -12.32 59.65 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -60.22 -28.71 68.22 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.698 0.761 . . . . 0.0 109.005 179.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -77.89 -24.53 48.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.576 -0.85 . . . . 0.0 109.089 179.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 10.1 m-70 -71.43 -23.01 61.77 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.543 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.6 t -84.48 -34.99 23.27 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.3 -12.78 60.02 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 119.599 -0.84 . . . . 0.0 108.734 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -82.73 -28.02 30.75 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 16.7 tttp -85.35 -5.98 59.27 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.787 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.543 ' CD2' ' O ' ' A' ' 16' ' ' SER . 25.1 m-85 -125.12 -127.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.311 -0.868 . . . . 0.0 110.333 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.711 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.292 0.567 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -101.39 -165.55 1.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.304 -0.873 . . . . 0.0 110.441 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -81.67 47.92 1.13 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.398 -0.814 . . . . 0.0 109.874 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ILE . 3.4 pp -67.34 -5.2 13.32 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.414 -0.804 . . . . 0.0 110.634 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 13.0 m-85 -72.51 -38.93 67.97 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.185 -0.947 . . . . 0.0 109.962 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -74.75 -1.05 20.29 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.464 0.65 . . . . 0.0 109.525 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -151.06 28.71 0.67 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.48 -0.762 . . . . 0.0 110.004 179.655 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.583 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 47.6 mt -43.33 -26.05 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.816 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 7' ' ' LYS . . . -75.43 -78.1 0.67 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 3.3 tp -61.79 -27.07 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.374 -1.074 . . . . 0.0 110.236 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.83 -31.48 4.04 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.33 -23.37 28.1 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.797 0.808 . . . . 0.0 109.955 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -60.32 -30.34 69.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-O 121.641 0.734 . . . . 0.0 110.021 179.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.3 tp -75.36 -32.83 60.96 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.195 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 52.5 m-70 -65.43 -21.92 66.71 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.524 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 2.6 t -80.46 -35.09 35.37 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 20' ' ' PHE . . . -68.97 -21.02 64.19 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -45.38 19.22 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.993 0.901 . . . . 0.0 108.936 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' 16' ' ' SER . 8.6 pttt -85.83 -4.98 59.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.428 0.632 . . . . 0.0 110.104 179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -44.01 148.38 0.41 Allowed 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.501 -0.749 . . . . 0.0 110.427 179.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.258 0.551 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -120.01 176.76 5.27 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.218 -0.926 . . . . 0.0 110.309 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -85.35 25.47 1.01 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.228 -0.92 . . . . 0.0 110.763 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.14 -16.65 62.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.033 -1.042 . . . . 0.0 109.896 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.2 m-85 -74.53 -22.93 58.78 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.704 0.764 . . . . 0.0 110.577 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -9.65 8.4 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.633 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.15 43.82 0.21 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.284 -0.885 . . . . 0.0 110.229 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -63.24 -46.63 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.22 -0.925 . . . . 0.0 110.378 -179.777 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -161.08 21.14 0.22 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG23 ' N ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -63.51 -40.84 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.053 -1.263 . . . . 0.0 109.708 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.619 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.88 -45.4 88.39 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 108.32 -1.912 . . . . 0.0 108.32 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 23.6 ttpp -77.97 -4.69 48.27 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.588 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -72.51 -40.42 66.84 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 121.468 -0.77 . . . . 0.0 109.325 179.338 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -65.4 -25.03 67.37 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.001 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.84 -28.32 69.4 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 177.08 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -33.9 65.81 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -56.33 -35.43 67.6 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -23.22 64.67 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.612 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -7.79 58.61 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.489 0.661 . . . . 0.0 109.414 179.101 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 22.8 m-85 -126.42 64.9 1.25 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.42 -0.8 . . . . 0.0 110.053 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.803 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.591 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.113 0.482 . . . . 0.0 110.203 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.591 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 12.9 m95 -127.99 -156.68 0.77 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.147 -0.971 . . . . 0.0 110.975 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -67.92 -9.15 42.77 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.163 0.506 . . . . 0.0 111.194 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' HG12 ' A' ' 8' ' ' ILE . 10.2 tp -64.48 -79.52 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.22 -0.925 . . . . 0.0 110.283 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -48.41 -26.21 1.98 Allowed 'General case' 0 C--N 1.291 -1.964 0 CA-C-O 121.73 0.776 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.95 -8.58 11.81 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 121.633 -0.667 . . . . 0.0 110.986 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -139.34 2.53 2.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.15 -0.969 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 4' ' ' LEU . 32.3 mm -85.62 -45.76 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.116 -0.99 . . . . 0.0 110.077 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' PHE . . . -151.28 34.6 0.91 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.174 -1.571 . . . . 0.0 109.174 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 4.8 tt -46.3 -33.24 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.247 -1.149 . . . . 0.0 109.561 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -73.51 -39.25 50.51 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 107.623 -2.191 . . . . 0.0 107.623 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 19.3 mtmt -80.41 -7.98 59.34 Favored 'General case' 0 C--N 1.29 -2.012 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.08 -28.61 65.57 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 121.719 0.771 . . . . 0.0 109.829 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -73.34 -23.76 60.27 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 119.941 -0.704 . . . . 0.0 109.594 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 34.2 m-70 -77.34 -19.06 56.86 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -80.82 -38.02 29.1 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 177.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -18.5 64.29 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -27.67 60.57 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.742 0.782 . . . . 0.0 109.633 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -80.01 -29.05 39.35 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.623 0.725 . . . . 0.0 110.137 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.446 ' CD2' ' O ' ' A' ' 16' ' ' SER . 6.4 m-85 -107.66 97.51 7.23 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.747 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' TRP . 5.3 mttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.197 0.522 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 1' ' ' LYS . 11.3 t-105 -42.26 162.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 0.0 110.128 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -84.89 -2.11 57.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.171 -0.956 . . . . 0.0 110.54 -179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tp -68.61 -73.08 0.16 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.267 -0.896 . . . . 0.0 109.546 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -54.64 -23.4 17.05 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.841 0.829 . . . . 0.0 109.763 179.364 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HB2' ' HA ' ' A' ' 3' ' ' LYS . 2.4 mttt -75.0 2.68 9.9 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.799 -0.563 . . . . 0.0 110.744 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 10' ' ' ILE . 32.4 mtpt -136.81 5.85 2.88 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.053 -1.029 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG13 ' HA ' ' A' ' 5' ' ' PHE . 16.5 mt -64.86 -17.16 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.066 -1.021 . . . . 0.0 110.128 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.638 ' CA ' ' CE1' ' A' ' 13' ' ' PHE . . . -87.17 64.19 3.88 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 7' ' ' LYS . 17.2 tt -158.35 -41.82 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.231 -1.158 . . . . 0.0 110.073 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -76.49 -41.85 23.95 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 107.842 -2.103 . . . . 0.0 107.842 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -84.85 -7.87 59.01 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.638 ' CE1' ' CA ' ' A' ' 9' ' ' GLY . 3.3 m-85 -76.85 -36.51 56.77 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -74.69 -21.97 59.11 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -22.81 62.12 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 177.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.495 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -79.43 -45.99 18.39 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.7 -19.43 63.57 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 119.381 -0.928 . . . . 0.0 108.525 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -79.86 -18.24 51.24 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 16' ' ' SER . 1.0 OUTLIER -80.63 -18.77 47.09 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.69 0.757 . . . . 0.0 109.387 179.288 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 16' ' ' SER . 27.6 m-85 -105.52 -137.65 0.36 Allowed 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.72 -0.613 . . . . 0.0 110.41 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.783 -1.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.348 0.594 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -170.1 -174.52 1.77 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.443 -0.786 . . . . 0.0 109.224 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 3.4 pttm -85.29 39.42 0.78 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.037 -1.04 . . . . 0.0 110.375 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -31.26 68.96 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.688 0.756 . . . . 0.0 109.921 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' HA ' HG13 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -61.0 -28.74 69.25 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.766 0.793 . . . . 0.0 109.307 179.652 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -10.78 59.73 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -95.25 -7.3 39.29 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.388 0.613 . . . . 0.0 109.94 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 5' ' ' PHE . 2.4 mt -84.84 -39.89 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 109.65 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 13' ' ' PHE . . . -60.82 -16.74 47.74 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 108.81 -1.716 . . . . 0.0 108.81 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.586 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -119.12 -38.26 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.421 -1.047 . . . . 0.0 109.481 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.576 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.11 -41.07 97.26 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 108.201 -1.959 . . . . 0.0 108.201 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 8' ' ' ILE . 27.3 tttp -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.02 -31.87 73.1 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 121.733 0.778 . . . . 0.0 109.483 179.257 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.39 -30.79 66.53 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 8.9 m-70 -69.8 -20.7 63.45 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.551 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -83.44 -39.0 21.14 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.94 -22.0 61.53 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -81.23 -18.93 44.36 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -85.79 -13.65 47.52 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.57 0.7 . . . . 0.0 109.677 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 3.1 m-85 -107.16 -128.78 0.27 Allowed 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.74 -1.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.287 0.565 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -118.61 -165.4 1.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 110.122 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.85 45.78 0.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.337 -0.852 . . . . 0.0 110.135 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' HG13 ' A' ' 8' ' ' ILE . 6.1 tp -73.03 -25.01 60.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.275 -0.891 . . . . 0.0 109.951 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.583 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.4 m-85 -70.22 -42.79 71.82 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.538 -0.726 . . . . 0.0 110.243 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -70.61 -5.55 30.21 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.561 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.64 30.62 1.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.366 -0.834 . . . . 0.0 110.077 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.583 HG13 ' HA ' ' A' ' 5' ' ' PHE . 28.0 mt -45.9 -24.71 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.648 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.07 65.09 0.14 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -150.14 -37.94 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.419 -1.048 . . . . 0.0 110.169 -179.707 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.526 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -61.81 -37.13 93.81 Favored Glycine 0 N--CA 1.487 2.092 0 N-CA-C 107.888 -2.085 . . . . 0.0 107.888 179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.453 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 15.0 ptmt -81.31 -16.16 53.26 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-O 121.694 0.759 . . . . 0.0 109.14 178.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.24 -27.41 63.94 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-O 121.688 0.756 . . . . 0.0 109.126 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -70.9 -25.4 62.76 Favored 'General case' 0 C--N 1.296 -1.722 0 C-N-CA 119.469 -0.892 . . . . 0.0 108.896 179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 5.4 m-70 -64.36 -24.79 67.76 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 177.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.442 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 3.4 t -80.43 -31.67 37.49 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.49 -21.45 61.93 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 tttt -77.94 -19.59 54.31 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 7.9 tttp -85.74 -13.95 46.77 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 121.498 0.665 . . . . 0.0 109.861 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 13.8 m-85 -119.37 22.9 11.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.562 -0.711 . . . . 0.0 110.398 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.213 0.53 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.48 -166.78 2.52 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.256 -0.903 . . . . 0.0 110.607 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -84.52 10.28 11.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 4' ' ' LEU . 4.5 tp -85.51 -37.28 19.85 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.207 -0.933 . . . . 0.0 110.466 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.619 ' HA ' HG13 ' A' ' 8' ' ' ILE . 1.4 m-85 -57.42 -24.63 56.72 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.716 0.77 . . . . 0.0 109.624 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -68.0 -8.3 36.3 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.53 0.681 . . . . 0.0 109.531 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -160.34 49.34 0.27 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.544 -0.722 . . . . 0.0 109.701 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 5' ' ' PHE . 32.4 mt -45.3 -26.96 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.274 -0.892 . . . . 0.0 109.71 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.88 71.2 0.12 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.276 -1.53 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.602 HG23 ' N ' ' A' ' 11' ' ' GLY . 1.6 tp -159.98 -42.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.277 -1.131 . . . . 0.0 110.704 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.602 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -65.58 -47.19 79.83 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.05 -1.62 . . . . 0.0 109.05 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -85.11 -6.56 59.3 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.813 -0.816 . . . . 0.0 109.509 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.5 m-85 -74.79 -30.34 61.4 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.375 -0.828 . . . . 0.0 109.087 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -80.83 -33.73 34.41 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.651 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 0.7 OUTLIER -68.87 -22.44 64.2 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 4.1 t -84.48 -34.79 23.31 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.25 -23.72 65.73 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 2.4 mtmt -78.56 -36.64 44.26 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.593 0.711 . . . . 0.0 109.973 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD2' ' O ' ' A' ' 16' ' ' SER . 9.1 m-85 -106.1 -159.64 0.71 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.275 0.56 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.44 -165.11 1.63 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.4 -0.813 . . . . 0.0 109.777 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -85.87 -34.65 20.95 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.344 -0.847 . . . . 0.0 111.22 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 8' ' ' ILE . 1.1 pp -61.21 -13.14 16.03 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.508 -0.745 . . . . 0.0 111.186 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.554 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.8 m-85 -83.23 -30.96 27.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.735 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 5.54 19.75 Favored 'General case' 0 C--N 1.293 -1.878 0 O-C-N 121.645 -0.659 . . . . 0.0 109.358 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.823 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -155.85 25.64 0.38 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.46 -0.775 . . . . 0.0 109.957 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.554 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 45.1 mt -47.41 -24.15 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.069 -1.019 . . . . 0.0 109.574 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.85 -17.38 65.1 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 108.801 -1.72 . . . . 0.0 108.801 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.823 HG22 ' O ' ' A' ' 7' ' ' LYS . 6.7 tt -66.49 -25.71 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.59 -0.947 . . . . 0.0 110.049 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -48.59 -30.08 8.22 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -85.55 -24.81 27.1 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 122.171 0.986 . . . . 0.0 109.048 179.24 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 12.2 t80 -61.54 -45.08 95.67 Favored 'General case' 0 C--N 1.294 -1.827 0 CA-C-O 121.947 0.88 . . . . 0.0 109.401 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 14' ' ' LEU . 6.9 tp -64.15 -23.89 67.49 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.528 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 16.8 m-70 -71.93 -25.76 62.02 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.524 ' OG ' ' CE2' ' A' ' 20' ' ' PHE . 8.4 t -80.68 -28.8 36.66 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 177.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.63 -28.62 69.24 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 2.4 pttp -69.28 -27.92 65.83 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.794 0.806 . . . . 0.0 109.179 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -77.03 -23.57 52.13 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 121.65 0.738 . . . . 0.0 110.152 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.592 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 1.7 m-30 -107.09 118.32 36.39 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.605 -0.684 . . . . 0.0 110.065 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.775 -1.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_