data_2gd3_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 2gd3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.044 0.45 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.725 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.996 0.427 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.572 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.691 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 13' ' ' THR . 67.7 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.682 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.489 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.19 87.84 5.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.62 -166.98 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.603 2.202 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -59.93 -21.17 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.714 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.714 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.4 m -74.92 -31.03 61.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.05 98.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -132.94 -67.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.8 mt -99.13 31.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.614 ' C ' HD12 ' A' ' 18' ' ' LEU . 5.4 t0 -116.93 33.15 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 17' ' ' ASP . 5.5 mp -152.16 90.08 3.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.44 0.25 9.96 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.576 2.184 . . . . 0.0 112.865 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.44 -30.44 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -92.97 78.02 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -108.82 33.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -30.65 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.883 0.373 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.8 90.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.96 -168.08 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.428 2.085 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -66.75 -23.21 66.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.725 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.725 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.6 m -69.21 -49.44 56.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -94.45 43.87 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -118.26 -57.49 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -8.29 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.648 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.62 32.17 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 14' ' ' GLY . 2.7 mt -150.72 83.23 5.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.79 85.03 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.591 2.194 . . . . 0.0 112.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -113.47 -41.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.22 144.96 27.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -158.43 110.53 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 79.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 6' ' ' PHE . . . -115.99 148.91 42.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -173.0 1.45 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.526 2.151 . . . . 0.0 112.433 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -70.85 -20.75 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 2' ' ' ALA . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.572 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.7 m -70.23 -30.05 67.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.24 72.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.573 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -111.74 -45.84 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 16' ' ' ILE . 31.7 mt -84.28 -3.35 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.591 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -114.4 32.01 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tp -129.28 77.63 77.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.57 84.93 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.543 2.162 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -95.74 -30.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.26 -47.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -79.61 79.51 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 36.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' HB3' ' CG ' ' A' ' 6' ' ' PHE . . . -108.85 142.99 26.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.17 -176.7 3.39 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.472 2.115 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -23.94 64.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.691 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' CG ' ' HB3' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -56.57 -22.76 35.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.87 166.24 10.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.29 21.48 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.676 0.274 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -6.14 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.649 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.63 42.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.94 82.07 65.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.14 0.87 9.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.655 2.237 . . . . 0.0 112.845 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.1 -47.98 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.335 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -80.66 101.06 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -145.29 175.47 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -101.89 -31.61 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 6' ' ' PHE . . . -59.13 159.49 14.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.65 -174.52 2.05 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.134 . . . . 0.0 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -68.35 -27.42 66.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' A' ' 2' ' ' ALA . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m -60.89 -31.85 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.43 59.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.35 129.24 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' O ' HG22 ' A' ' 16' ' ' ILE . 8.3 mt -114.83 34.47 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.49 38.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 HD12 ' HG2' ' A' ' 15' ' ' GLU . 1.1 mt -119.11 77.87 16.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.05 0.5 9.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.681 2.254 . . . . 0.0 112.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.07 -31.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 88.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -66.22 -40.14 90.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 6' ' ' PHE . . . -140.81 148.42 52.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.15 -171.72 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.169 . . . . 0.0 112.465 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -26.16 61.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.727 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 13' ' ' THR . 67.7 m -90.39 49.31 1.67 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.18 140.82 15.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -33.45 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.5 mt -106.06 33.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.5 t0 -114.75 38.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.8 mp -145.01 89.08 6.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.25 -0.79 10.74 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.593 2.196 . . . . 0.0 112.84 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.98 -30.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.8 -167.1 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 116.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -88.82 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.871 0.367 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.58 10.78 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.76 -167.91 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.5 2.133 . . . . 0.0 112.283 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -119.07 -80.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m -59.25 -30.42 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.59 87.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.32 14.11 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 111.263 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mm -92.91 45.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.878 0.371 . . . . 0.0 111.069 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.81 35.82 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' A' ' 21' ' ' LYS . 1.3 tt -136.55 84.96 26.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.18 0.45 9.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.619 2.213 . . . . 0.0 112.839 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 20' ' ' VAL . 17.0 t -98.13 31.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.0 mmmm -81.39 61.61 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 112.12 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.59 -46.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.29 108.27 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.15 -164.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -71.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 75.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -130.36 -46.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.6 mt -103.89 31.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.58 36.05 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.42 87.67 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -77.74 0.7 9.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.601 2.201 . . . . 0.0 112.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 7.6 t -98.63 31.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -141.96 79.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.69 31.54 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.86 179.86 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' HB3' ' CG ' ' A' ' 6' ' ' PHE . . . -158.63 145.84 13.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.64 -178.51 4.62 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -22.94 65.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.682 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.836 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.87 58.91 4.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -87.04 -63.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.0 mt -95.11 44.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -104.41 31.99 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 77.99 7.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' O ' HG13 ' A' ' 20' ' ' VAL . 82.8 Cg_endo -78.15 0.75 9.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.651 2.234 . . . . 0.0 112.852 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.698 HG23 ' HB1' ' A' ' 24' ' ' ALA . 6.0 m -157.26 82.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -76.06 -28.31 57.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.09 -30.89 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.83 91.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.698 ' HB1' HG23 ' A' ' 20' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.35 160.05 65.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.75 139.92 5.8 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.824 2.349 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -27.13 22.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m -68.0 -43.91 77.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.02 15.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.7 -31.99 73.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 16' ' ' ILE . 30.3 mt -86.53 57.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -109.12 77.98 0.94 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.07 -0.44 9.99 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.703 2.268 . . . . 0.0 112.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 20' ' ' VAL . 6.2 m -124.33 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.15 91.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.1 155.47 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 136.93 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.86 79.66 6.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.09 -164.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.594 2.196 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -59.93 -74.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.562 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -60.95 -72.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.71 74.96 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -113.03 -33.49 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.3 mm -84.17 56.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.92 39.23 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.72 92.74 3.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.24 -1.67 11.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.609 2.206 . . . . 0.0 112.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' O ' HG12 ' A' ' 20' ' ' VAL . 13.9 t -103.64 31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.83 106.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -150.76 31.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -66.72 104.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.59 83.31 17.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.78 -166.12 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.596 2.198 . . . . 0.0 112.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -21.08 60.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -60.42 -48.75 80.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.81 -21.65 79.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.67 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.5 146.33 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 16' ' ' ILE . 22.7 mm -75.22 -3.3 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.94 61.96 4.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 110.585 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 20' ' ' VAL . 2.6 tp -143.01 93.22 6.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.51 83.94 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.476 2.117 . . . . 0.0 112.345 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG21 HD23 ' A' ' 18' ' ' LEU . 21.7 t -114.23 -36.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 60.51 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -35.25 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.12 29.97 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.11 160.23 3.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -168.24 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.588 2.192 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.92 -67.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.489 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' C ' HD23 ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m -67.8 -26.1 65.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.03 86.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.72 20.12 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mt -122.84 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.415 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' C ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.9 mp -156.93 93.71 2.31 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 -0.68 10.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.555 2.17 . . . . 0.0 112.872 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 m -81.66 -29.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -124.65 31.69 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -120.0 128.58 53.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 141.42 50.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HB2' ' CD2' ' A' ' 6' ' ' PHE . . . -130.35 90.26 41.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.08 -167.7 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.464 2.11 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 -61.99 -19.57 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' CD2' ' HB2' ' A' ' 2' ' ' ALA . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.5 m -63.48 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 119.1 5.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.12 21.94 9.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 16' ' ' ILE . 26.4 mt -100.47 -0.5 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.609 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.95 63.67 1.95 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.115 0.484 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -160.06 82.51 2.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -90.87 -179.83 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.095 2.53 . . . . 0.0 111.814 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.98 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 113.78 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -121.32 -177.82 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttp-105 -83.95 94.69 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 86.4 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.044 0.45 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 91.6 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.996 0.427 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 90.7 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' THR . 67.7 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 85.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 6' ' ' PHE . . . -149.19 87.84 5.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.62 -166.98 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.603 2.202 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -59.93 -21.17 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.55 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 86.4 m -74.92 -31.03 61.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.05 98.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -132.94 -67.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.8 mt -99.13 31.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.614 ' C ' HD12 ' A' ' 18' ' ' LEU . 5.4 t0 -116.93 33.15 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 17' ' ' ASP . 5.5 mp -152.16 90.08 3.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.44 0.25 9.96 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.576 2.184 . . . . 0.0 112.865 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.44 -30.44 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -92.97 78.02 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -108.82 33.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -30.65 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.883 0.373 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.8 90.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.96 -168.08 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.428 2.085 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -66.75 -23.21 66.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 91.6 m -69.21 -49.44 56.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -94.45 43.87 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -118.26 -57.49 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -8.29 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.648 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.62 32.17 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 14' ' ' GLY . 2.7 mt -150.72 83.23 5.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.79 85.03 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.591 2.194 . . . . 0.0 112.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -113.47 -41.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.22 144.96 27.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -158.43 110.53 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 79.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -115.99 148.91 42.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -173.0 1.45 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.526 2.151 . . . . 0.0 112.433 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -70.85 -20.75 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.66 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 90.7 m -70.23 -30.05 67.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.24 72.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.573 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -111.74 -45.84 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 16' ' ' ILE . 31.7 mt -84.28 -3.35 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.591 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -114.4 32.01 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tp -129.28 77.63 77.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.57 84.93 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.543 2.162 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -95.74 -30.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.26 -47.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -79.61 79.51 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 36.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -108.85 142.99 26.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.17 -176.7 3.39 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.472 2.115 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -23.94 64.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -56.57 -22.76 35.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.87 166.24 10.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.29 21.48 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.676 0.274 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -6.14 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.649 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.63 42.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.94 82.07 65.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.14 0.87 9.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.655 2.237 . . . . 0.0 112.845 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.1 -47.98 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.335 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -80.66 101.06 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -145.29 175.47 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -101.89 -31.61 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 6' ' ' PHE . . . -59.13 159.49 14.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 74.4 Cg_endo -75.65 -174.52 2.05 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.134 . . . . 0.0 112.498 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -68.35 -27.42 66.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m -60.89 -31.85 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.43 59.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.35 129.24 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 16' ' ' ILE . 8.3 mt -114.83 34.47 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.49 38.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD12 ' HG2' ' A' ' 15' ' ' GLU . 1.1 mt -119.11 77.87 16.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.05 0.5 9.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.681 2.254 . . . . 0.0 112.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.07 -31.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 88.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -66.22 -40.14 90.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.575 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -140.81 148.42 52.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.15 -171.72 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.169 . . . . 0.0 112.465 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -26.16 61.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' THR . 67.7 m -90.39 49.31 1.67 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.18 140.82 15.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -33.45 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.5 mt -106.06 33.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.5 t0 -114.75 38.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.8 mp -145.01 89.08 6.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.25 -0.79 10.74 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.593 2.196 . . . . 0.0 112.84 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.98 -30.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.8 -167.1 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 116.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -88.82 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.871 0.367 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -163.84 167.58 10.78 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 56.5 Cg_endo -70.76 -167.91 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.5 2.133 . . . . 0.0 112.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -119.07 -80.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m -59.25 -30.42 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.59 87.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.32 14.11 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 111.263 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mm -92.91 45.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.878 0.371 . . . . 0.0 111.069 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.81 35.82 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD22 ' HG2' ' A' ' 21' ' ' LYS . 1.3 tt -136.55 84.96 26.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.18 0.45 9.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.619 2.213 . . . . 0.0 112.839 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 20' ' ' VAL . 17.0 t -98.13 31.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.0 mmmm -81.39 61.61 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 112.12 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.59 -46.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.29 108.27 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.15 -164.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -71.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 75.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -130.36 -46.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.6 mt -103.89 31.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.58 36.05 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.42 87.67 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -77.74 0.7 9.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.601 2.201 . . . . 0.0 112.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 7.6 t -98.63 31.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -141.96 79.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.69 31.54 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.86 179.86 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -158.63 145.84 13.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.64 -178.51 4.62 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -22.94 65.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.87 58.91 4.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -87.04 -63.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.0 mt -95.11 44.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -104.41 31.99 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 77.99 7.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' O ' HG13 ' A' ' 20' ' ' VAL . 82.8 Cg_endo -78.15 0.75 9.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.651 2.234 . . . . 0.0 112.852 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 24' ' ' ALA . 6.0 m -157.26 82.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -76.06 -28.31 57.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.09 -30.89 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.83 91.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 20' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.35 160.05 65.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.75 139.92 5.8 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.824 2.349 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -27.13 22.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m -68.0 -43.91 77.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.02 15.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.7 -31.99 73.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 16' ' ' ILE . 30.3 mt -86.53 57.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -109.12 77.98 0.94 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.07 -0.44 9.99 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.703 2.268 . . . . 0.0 112.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 20' ' ' VAL . 6.2 m -124.33 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.15 91.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.1 155.47 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 136.93 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.86 79.66 6.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.09 -164.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.594 2.196 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -59.93 -74.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -60.95 -72.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.71 74.96 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -113.03 -33.49 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.3 mm -84.17 56.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.92 39.23 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -152.72 92.74 3.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.24 -1.67 11.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.609 2.206 . . . . 0.0 112.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 20' ' ' VAL . 13.9 t -103.64 31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.83 106.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -150.76 31.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -66.72 104.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' A' ' 6' ' ' PHE . . . -117.59 83.31 17.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.78 -166.12 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.596 2.198 . . . . 0.0 112.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -21.08 60.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -60.42 -48.75 80.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.81 -21.65 79.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.67 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.5 146.33 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 16' ' ' ILE . 22.7 mm -75.22 -3.3 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.94 61.96 4.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 110.585 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 20' ' ' VAL . 2.6 tp -143.01 93.22 6.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.51 83.94 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.476 2.117 . . . . 0.0 112.345 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG21 HD23 ' A' ' 18' ' ' LEU . 21.7 t -114.23 -36.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 60.51 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -35.25 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.12 29.97 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -173.11 160.23 3.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 57.6 Cg_endo -71.29 -168.24 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.588 2.192 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.92 -67.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m -67.8 -26.1 65.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.03 86.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.72 20.12 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mt -122.84 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.415 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.584 ' C ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.9 mp -156.93 93.71 2.31 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 -0.68 10.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.555 2.17 . . . . 0.0 112.872 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 m -81.66 -29.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -124.65 31.69 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -120.0 128.58 53.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 141.42 50.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 6' ' ' PHE . . . -130.35 90.26 41.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.08 -167.7 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.464 2.11 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 -61.99 -19.57 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 85.5 m -63.48 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 119.1 5.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.12 21.94 9.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 16' ' ' ILE . 26.4 mt -100.47 -0.5 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.609 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.95 63.67 1.95 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.115 0.484 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -160.06 82.51 2.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -90.87 -179.83 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.095 2.53 . . . . 0.0 111.814 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.98 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 113.78 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -121.32 -177.82 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttp-105 -83.95 94.69 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 86.4 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 121.044 0.45 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 91.6 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.996 0.427 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 90.7 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.173 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' THR . 67.7 m . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.934 0.397 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 85.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 6' ' ' PHE . . . -149.19 87.84 5.22 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.62 -166.98 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.603 2.202 . . . . 0.0 112.204 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.5 ptt85 -59.93 -21.17 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.31 -30.89 58.0 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.203 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.55 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -72.95 -24.87 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.858 0.361 . . . . 0.0 111.014 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -79.43 -60.73 2.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.631 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -25.87 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 9' ' ' LEU . 7.1 tt -79.87 -47.92 14.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.555 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.8 tt -66.22 -37.41 85.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.643 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 7' ' ' SER . 3.9 mm? -56.83 -30.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.44 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -99.25 -28.11 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.41 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 86.4 m -74.92 -31.03 61.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.05 98.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -132.94 -67.63 0.62 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.8 mt -99.13 31.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.614 ' C ' HD12 ' A' ' 18' ' ' LEU . 5.4 t0 -116.93 33.15 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 17' ' ' ASP . 5.5 mp -152.16 90.08 3.85 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.44 0.25 9.96 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.576 2.184 . . . . 0.0 112.865 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.44 -30.44 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -92.97 78.02 4.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -108.82 33.57 4.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -30.65 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.013 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptt? . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.883 0.373 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.8 90.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.073 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.96 -168.08 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.428 2.085 . . . . 0.0 112.324 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptt-85 -66.75 -23.21 66.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.32 -34.6 50.52 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -18.06 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.7 -52.96 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -55.28 -27.93 49.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.29 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.0 pp -92.22 -42.07 10.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 6.1 tt -66.16 -40.91 90.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.676 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -54.46 -30.43 52.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.931 0.396 . . . . 0.0 110.524 179.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -97.1 -29.88 13.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.61 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 91.6 m -69.21 -49.44 56.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -94.45 43.87 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -118.26 -57.49 2.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -8.29 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.648 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.62 32.17 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 14' ' ' GLY . 2.7 mt -150.72 83.23 5.85 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.79 85.03 0.78 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.591 2.194 . . . . 0.0 112.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.1 t -113.47 -41.05 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.22 144.96 27.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -158.43 110.53 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.99 79.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.118 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 mmm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.806 0.336 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -115.99 148.91 42.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.44 -173.0 1.45 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.526 2.151 . . . . 0.0 112.433 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -70.85 -20.75 62.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.511 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -76.94 -27.51 60.31 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.305 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.66 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 1.2 t80 -62.39 -24.11 67.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.059 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -97.51 -37.75 9.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.19 -19.24 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.9 pp -107.32 -38.93 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -59.05 -33.5 70.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 0.0 110.485 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.13 -30.76 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.329 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -98.57 -27.56 13.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.69 179.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.403 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 90.7 m -70.23 -30.05 67.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.24 72.14 0.32 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.573 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -111.74 -45.84 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 16' ' ' ILE . 31.7 mt -84.28 -3.35 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.591 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -114.4 32.01 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.79 0.328 . . . . 0.0 110.827 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tp -129.28 77.63 77.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.57 84.93 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.543 2.162 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 m -95.74 -30.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.26 -47.1 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -79.61 79.51 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.47 36.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -108.85 142.99 26.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.055 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -78.17 -176.7 3.39 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.472 2.115 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -23.94 64.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.164 0.506 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -71.78 -27.22 71.19 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.183 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -65.83 -26.19 67.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.929 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -85.25 -48.63 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.523 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 m -60.41 -24.28 65.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD13 ' O ' ' A' ' 5' ' ' GLY . 6.0 mp -81.79 -53.61 6.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.595 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 tt -59.9 -37.54 79.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -55.89 -31.19 62.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.412 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -102.5 -22.09 14.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -56.57 -22.76 35.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.87 166.24 10.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.29 21.48 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.676 0.274 . . . . 0.0 111.152 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -6.14 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.649 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.63 42.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mt -130.94 82.07 65.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -78.14 0.87 9.48 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.655 2.237 . . . . 0.0 112.845 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.0 t -60.1 -47.98 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.335 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -80.66 101.06 9.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -145.29 175.47 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -101.89 -31.61 10.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.772 0.32 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 6' ' ' PHE . . . -59.13 159.49 14.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 74.4 Cg_endo -75.65 -174.52 2.05 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.134 . . . . 0.0 112.498 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -68.35 -27.42 66.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.201 0.524 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.66 -39.32 90.51 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.939 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.7 t80 -51.45 -27.37 10.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -89.97 -35.13 15.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.382 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.44 -25.94 60.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.033 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -100.67 -47.17 4.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.724 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.15 -35.65 81.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.48 -29.77 62.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -102.15 -29.34 11.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.4 m -60.89 -31.85 71.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.43 59.55 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.35 129.24 56.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' O ' HG22 ' A' ' 16' ' ' ILE . 8.3 mt -114.83 34.47 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.49 38.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD12 ' HG2' ' A' ' 15' ' ' GLU . 1.1 mt -119.11 77.87 16.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.05 0.5 9.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.681 2.254 . . . . 0.0 112.84 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.9 t -98.07 -31.92 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.4 88.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -66.22 -40.14 90.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.863 0.363 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.575 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -140.81 148.42 52.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.019 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -74.15 -171.72 0.97 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.169 . . . . 0.0 112.465 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -26.16 61.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.154 0.502 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -71.08 -28.05 70.99 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.119 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' CB ' ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER -68.83 -18.38 64.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.702 0.287 . . . . 0.0 111.3 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.6 t -93.2 -49.19 6.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.254 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 p -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.178 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.1 pp -87.34 -42.39 12.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.92 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.726 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.1 tt -61.96 -36.97 83.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 tt -60.3 -30.69 69.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.65 -15.29 18.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' THR . 67.7 m -90.39 49.31 1.67 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.18 140.82 15.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.87 -33.45 71.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.5 mt -106.06 33.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.447 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.5 t0 -114.75 38.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.8 mp -145.01 89.08 6.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.25 -0.79 10.74 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.593 2.196 . . . . 0.0 112.84 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.98 -30.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.8 -167.1 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.93 116.88 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -88.82 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.871 0.367 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -163.84 167.58 10.78 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 56.5 Cg_endo -70.76 -167.91 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.5 2.133 . . . . 0.0 112.283 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -119.07 -80.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.85 -26.58 41.14 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.562 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.476 ' HA ' HD21 ' A' ' 9' ' ' LEU . 1.4 t80 -61.43 -25.56 67.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -93.99 -37.5 11.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.48 -27.12 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.2 pp -85.33 -46.91 10.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.779 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -66.75 -36.71 83.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -56.85 -29.65 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.531 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -99.56 -28.03 13.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.781 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.5 m -59.25 -30.42 68.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.59 87.97 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.32 14.11 5.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.597 0.237 . . . . 0.0 111.263 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mm -92.91 45.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.878 0.371 . . . . 0.0 111.069 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -124.81 35.82 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD22 ' HG2' ' A' ' 21' ' ' LYS . 1.3 tt -136.55 84.96 26.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.18 0.45 9.72 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.619 2.213 . . . . 0.0 112.839 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' HG12 ' A' ' 20' ' ' VAL . 17.0 t -98.13 31.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 111.069 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.0 mmmm -81.39 61.61 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.803 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 112.12 23.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.59 -46.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptp . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.808 0.337 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.29 108.27 0.26 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.15 -164.09 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.372 2.048 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -71.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.405 0.622 . . . . 0.0 111.095 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.87 -30.17 6.8 Favored Glycine 0 CA--C 1.518 0.231 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.739 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.94 -27.36 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -71.72 -54.67 9.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.579 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.75 -21.02 63.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.796 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.2 tt -86.84 -45.35 10.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 10' ' ' LEU . 6.0 tt -61.32 -38.08 85.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -57.52 -30.52 65.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.434 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.5 tp -98.26 -27.85 13.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.723 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.412 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.1 m -71.9 -30.15 65.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.12 75.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -130.36 -46.23 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.349 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 16' ' ' ILE . 16.6 mt -103.89 31.86 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -108.58 36.05 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.42 87.67 7.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -77.74 0.7 9.57 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.601 2.201 . . . . 0.0 112.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 20' ' ' VAL . 7.6 t -98.63 31.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -141.96 79.12 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.69 31.54 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.86 179.86 8.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.813 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.691 ' HB1' ' CB ' ' A' ' 6' ' ' PHE . . . -158.63 145.84 13.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -79.64 -178.51 4.62 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.612 2.208 . . . . 0.0 112.454 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -22.94 65.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.123 0.487 . . . . 0.0 110.989 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.3 -29.19 68.71 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.195 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -67.78 -18.74 64.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.45 -52.81 4.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.179 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.2 p -57.67 -27.79 63.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.837 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.75 -39.42 12.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.656 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.837 ' N ' HD23 ' A' ' 9' ' ' LEU . 4.7 tt -65.72 -38.79 90.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.393 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 11' ' ' LEU . 3.1 tt -57.56 -30.17 65.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.336 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -96.98 -28.87 13.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -61.04 -39.9 91.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.801 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.87 58.91 4.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.421 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -87.04 -63.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 16' ' ' ILE . 21.0 mt -95.11 44.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -104.41 31.99 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.41 77.99 7.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.474 ' O ' HG13 ' A' ' 20' ' ' VAL . 82.8 Cg_endo -78.15 0.75 9.59 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.651 2.234 . . . . 0.0 112.852 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' A' ' 24' ' ' ALA . 6.0 m -157.26 82.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.868 0.366 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -76.06 -28.31 57.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -60.09 -30.89 69.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.83 91.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 20' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.782 0.325 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.35 160.05 65.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -86.75 139.92 5.8 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.824 2.349 . . . . 0.0 112.428 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.55 -27.13 22.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.19 0.519 . . . . 0.0 110.802 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.33 -38.31 29.47 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.25 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -17.59 64.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.01 -47.42 7.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.132 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -57.81 -30.64 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.74 HD12 ' N ' ' A' ' 10' ' ' LEU . 4.5 pp -90.73 -44.92 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.817 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.6 tp -61.09 -34.53 75.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.486 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.42 -33.05 71.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.311 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -94.7 -27.39 15.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.491 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 88.2 m -68.0 -43.91 77.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.881 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -97.03 28.02 15.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.7 -31.99 73.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 16' ' ' ILE . 30.3 mt -86.53 57.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.47 43.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -109.12 77.98 0.94 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.07 -0.44 9.99 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.703 2.268 . . . . 0.0 112.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 20' ' ' VAL . 6.2 m -124.33 80.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.15 91.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.1 155.47 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 136.93 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.082 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.86 79.66 6.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.09 -164.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.594 2.196 . . . . 0.0 112.289 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -59.93 -74.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.25 0.548 . . . . 0.0 111.342 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.96 -38.9 6.13 Favored Glycine 0 CA--C 1.518 0.273 0 CA-C-N 115.209 -0.905 . . . . 0.0 113.081 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -58.49 -22.68 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -40.26 12.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.36 -25.17 65.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' HA ' HD23 ' A' ' 12' ' ' LEU . 4.0 pp -97.73 -41.15 8.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.773 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.7 tt -61.3 -35.35 77.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.427 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -29.98 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -99.07 -25.71 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 179.611 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.1 m -60.95 -72.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.71 74.96 0.37 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -113.03 -33.49 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.3 mm -84.17 56.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.92 39.23 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 20' ' ' VAL . 0.6 OUTLIER -152.72 92.74 3.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.24 -1.67 11.57 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.609 2.206 . . . . 0.0 112.841 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 20' ' ' VAL . 13.9 t -103.64 31.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.933 0.397 . . . . 0.0 111.071 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.83 106.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -150.76 31.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -66.72 104.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' A' ' 6' ' ' PHE . . . -117.59 83.31 17.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.78 -166.12 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.596 2.198 . . . . 0.0 112.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -21.08 60.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.076 0.465 . . . . 0.0 111.028 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.25 -29.99 67.82 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.064 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 2.8 t80 -64.27 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 t -82.62 -57.34 3.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.499 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.84 -26.05 65.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.55 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 9' ' ' LEU . 7.4 tt -76.58 -49.58 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.443 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.98 -38.06 89.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -31.73 63.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.294 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -95.56 -28.39 14.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.576 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.9 m -60.42 -48.75 80.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.81 -21.65 79.05 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.67 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.5 146.33 20.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.028 0.442 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 16' ' ' ILE . 22.7 mm -75.22 -3.3 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.94 61.96 4.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.23 0.538 . . . . 0.0 110.585 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD23 HG21 ' A' ' 20' ' ' VAL . 2.6 tp -143.01 93.22 6.65 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.51 83.94 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.476 2.117 . . . . 0.0 112.345 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG21 HD23 ' A' ' 18' ' ' LEU . 21.7 t -114.23 -36.11 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 60.51 4.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.49 -35.25 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.12 29.97 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.868 0.366 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -173.11 160.23 3.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 57.6 Cg_endo -71.29 -168.24 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.588 2.192 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.92 -67.07 0.83 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.397 0.618 . . . . 0.0 110.949 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -60.28 -26.37 63.85 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.426 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -58.62 -24.09 60.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.358 . . . . 0.0 111.131 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.9 t -100.24 -36.16 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.54 -23.39 63.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.631 ' HA ' HD23 ' A' ' 12' ' ' LEU . 3.5 pp -100.03 -38.39 8.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 10' ' ' LEU . 4.9 tt -62.44 -35.03 77.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.41 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.8 tp -60.77 -31.99 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.285 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.631 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -96.39 -26.81 15.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.644 179.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.6 m -67.8 -26.1 65.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.03 86.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.626 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.72 20.12 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.73 0.3 . . . . 0.0 111.05 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mt -122.84 74.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.415 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.584 ' C ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -82.75 57.01 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 HD12 ' C ' ' A' ' 17' ' ' ASP . 3.9 mp -156.93 93.71 2.31 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 -0.68 10.58 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.555 2.17 . . . . 0.0 112.872 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.0 m -81.66 -29.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.108 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -124.65 31.69 5.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -120.0 128.58 53.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 141.42 50.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.878 0.371 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 6' ' ' PHE . . . -130.35 90.26 41.98 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.08 -167.7 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.464 2.11 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 27.5 ptt85 -61.99 -19.57 62.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.684 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -80.26 -38.48 18.15 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 1.6 t80 -58.64 -24.28 60.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 t -89.32 -51.88 5.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.705 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 m -58.4 -26.92 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.75 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' GLY . 9.8 mp -82.96 -52.35 6.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.646 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 13' ' ' THR . 6.4 tt -62.39 -36.44 82.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.791 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.16 -29.78 63.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.4 tp -101.9 -28.52 12.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 10' ' ' LEU . 85.5 m -63.48 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 119.1 5.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.12 21.94 9.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.732 0.301 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 16' ' ' ILE . 26.4 mt -100.47 -0.5 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.609 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.95 63.67 1.95 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.115 0.484 . . . . 0.0 110.797 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tt -160.06 82.51 2.26 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -90.87 -179.83 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.095 2.53 . . . . 0.0 111.814 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.98 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 113.78 2.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp-105 -121.32 -177.82 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttp-105 -83.95 94.69 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.907 . . . . . . . . 0 0 . 1 stop_ save_