data_1ma4_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 1ma4 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 112.247 0.462 . . . . 2.6600000000000001 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.3399999999999999 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.2199999999999998 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.9400000000000004 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.1099999999999999 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 4.4400000000000004 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.683 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.5800000000000001 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 3.3100000000000001 111.582 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.581 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 26.3 t . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.723 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.561 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 55.3 t . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.697 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 21.9 t . . . . . 0 CA--C 1.515 -0.383 0 CA-C-O 121.515 0.674 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.686 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.616 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.428 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 12.5 t . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.732 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.687 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.2 m-30 . . . . . 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 121.611 0.719 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.806 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.728 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.938 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.722 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.64 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.2 m-30 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.713 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.713 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.594 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 59.9 t . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.665 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.7 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.7 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.694 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 120.753 0.311 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.527 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 53.5 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.804 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.596 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.532 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.691 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.691 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.591 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.623 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.8 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.627 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.635 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 15.5 t . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 120.878 0.371 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.663 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 19.0 t . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.611 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.668 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 21.3 t . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t . . . . . 0 CA--C 1.504 -0.822 0 CA-C-O 120.048 -0.025 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.697 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.697 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.36 0.124 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.633 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 8' ' ' TYR . 56.1 t . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.816 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.727 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.754 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 48.6 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.76 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 120.569 0.223 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.636 ' O ' ' CG2' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.804 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.722 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.804 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.784 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.722 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.685 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.808 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.782 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' ' CE1' ' A' ' 8' ' ' TYR . 5.7 t . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 121.316 0.579 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.449 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 3.4 t . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.644 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.644 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.884 0.373 . . . . 6.7699999999999996 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -66.72 -148.84 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.163 -0.471 . . . . 3.46 111.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.595 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -128.58 -91.17 0.49 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.234 -0.439 . . . . 4.9400000000000004 110.348 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.595 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 159.84 -40.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 3.75 110.331 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.0 mmm-85 -158.78 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.458 -0.792 . . . . 5.9000000000000004 109.282 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t 53.4 -76.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.913 -1.04 . . . . 2.6600000000000001 112.247 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.3399999999999999 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.2199999999999998 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.9400000000000004 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.1099999999999999 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 4.4400000000000004 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.683 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.5800000000000001 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 85.48 172.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 3.3100000000000001 111.582 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -60.58 85.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 7.7699999999999996 110.693 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -32.5 45.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 7.96 111.194 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.4 p90 -57.34 -47.87 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 6.5099999999999998 111.051 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.3 mmp_? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.193 -0.908 . . . . 9.1699999999999999 110.913 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.788 0.328 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.757 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 5.7 p-90 -116.42 -70.88 0.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.662 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 141.92 -152.69 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.26 1.024 . . . . 0.0 109.543 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 31.0 p90 148.71 -44.92 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 111.345 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.794 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 1.46 107.78 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.306 -175.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.586 ' O ' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -137.19 -36.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.782 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.817 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.581 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -92.85 -143.79 0.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.36 132.88 9.15 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.638 0.256 . . . . 0.0 110.645 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -33.85 6.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -47.08 -26.74 1.14 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 9.9 ttm-85 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.773 0.32 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 1.1 p-90 -67.84 -146.71 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -131.74 -132.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.05 179.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.661 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 164.05 -140.71 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -69.53 46.31 0.07 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.96 0.41 . . . . 0.0 111.582 178.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 26.3 t -73.55 -9.35 12.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.723 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.561 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 87.98 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.87 100.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 16' ' ' TYR . 40.8 mtp180 -109.47 -13.16 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.373 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' ARG . 19.0 p90 23.88 -141.5 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.018 0.527 . . . . 0.0 111.759 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.906 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.543 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -63.22 -135.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.58 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -145.66 11.32 1.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.58 ' HD1' ' C ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 16.59 -89.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.1 mtp180 -111.33 -70.99 0.78 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 55.3 t 55.65 -82.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.045 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.773 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.697 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 80.33 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.503 ' C ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 153.33 37.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.032 0.533 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.503 ' HG3' ' C ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 43.46 178.77 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 111.847 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 17.5 p90 -161.37 -48.1 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.327 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.4 p-90 -108.2 -9.45 15.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.645 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 48.83 -124.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.955 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.504 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 178.71 -133.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.031 0.378 . . . . 0.0 110.46 -178.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 7.5 mtp-105 -67.07 68.26 0.07 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.299 0.571 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 4' ' ' PHE . 21.9 t -119.54 26.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.686 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.738 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.616 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 88.74 35.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.12 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.415 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -179.56 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.436 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.9 tpm_? . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.824 0.345 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.489 ' CH2' ' HA ' ' A' ' 4' ' ' PHE . 2.7 p-90 -73.59 -147.43 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 7.0 p90 -161.83 113.93 1.74 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.328 0.585 . . . . 0.0 111.587 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CD1' HG21 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -61.29 -129.35 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.205 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 mmm-85 -49.6 -93.7 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.315 -0.241 . . . . 0.0 111.157 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.526 HG21 ' CD1' ' A' ' 4' ' ' PHE . 12.5 t 67.28 18.65 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.732 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.687 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.2 m-30 91.87 27.43 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.58 -173.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.378 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -110.07 95.93 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -62.37 -155.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.871 0.367 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.447 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.85 -148.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.599 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -143.62 18.64 1.84 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.136 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 23.64 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -138.57 -54.43 0.61 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 34.8 t 41.05 105.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.166 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.806 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.728 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.938 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.722 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.64 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 3.2 m-30 -108.27 -44.21 4.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.94 49.22 2.93 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.676 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.29 41.86 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -83.19 -174.79 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.453 ' CE3' ' HB3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -66.14 -145.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.256 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -132.51 -61.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.536 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 27.5 p90 170.55 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.686 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.656 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 12.5 mmt85 -60.28 -130.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.507 0.323 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t 96.61 -44.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 123.564 0.746 . . . . 0.0 111.857 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.713 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.628 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.713 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 89.56 34.21 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 1.6 tpt85 175.17 178.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.2 57.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.268 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.38 -179.57 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.496 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.726 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.772 0.32 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CZ3' ' HA ' ' A' ' 4' ' ' PHE . 4.2 p-90 -85.59 -158.92 0.41 Allowed 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -150.56 -92.51 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.544 ' HA ' ' CZ3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -176.29 -64.42 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.46 0.172 . . . . 0.0 111.451 -177.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -134.45 30.09 3.55 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.702 0.763 . . . . 0.0 110.337 179.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.594 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 59.9 t -88.43 3.56 5.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.665 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.7 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.7 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.694 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 85.73 62.19 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 15' ' ' ARG . 2.8 mtt85 82.79 -0.92 1.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.676 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER 25.33 110.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -58.72 -156.33 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.149 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -64.46 -148.33 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.714 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.21 -91.9 0.51 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 153.09 -136.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.058 0.543 . . . . 0.0 109.975 -178.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.04 57.44 2.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.958 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t -81.23 -13.35 12.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.788 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 88.53 -150.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -86.12 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 52.8 mmt-85 47.14 73.88 0.17 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 111.269 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -91.13 -162.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.019 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.831 0.348 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.517 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -67.5 -160.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -115.37 -109.2 0.36 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' CZ ' ' CG2' ' A' ' 6' ' ' VAL . 19.5 p90 -165.91 -149.35 0.11 Allowed 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.308 -0.245 . . . . 0.0 110.549 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' O ' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.57 -61.86 2.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.666 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.527 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 53.5 t 60.91 23.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.804 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 91.17 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -87.46 163.59 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.695 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 151.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -67.98 -159.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.454 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -61.92 -149.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.569 ' O ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -141.17 12.97 2.21 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' HD1' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 21.03 -145.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.668 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -56.8 -152.21 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.134 0.174 . . . . 0.0 110.648 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t 108.56 -43.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 123.656 0.782 . . . . 0.0 109.695 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.596 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.596 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.532 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 -109.22 144.75 36.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.47 -46.07 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.486 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 125.48 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 111.379 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 13.1 p90 -113.19 -156.59 0.6 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 32.2 mtm-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.545 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.86 0.362 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.454 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -60.26 -156.45 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.075 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.58 -121.32 0.29 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.28 179.201 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.538 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 171.25 -135.34 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.601 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.42 ' HG2' ' CE2' ' A' ' 12' ' ' TYR . 7.4 mtt85 -45.77 -79.19 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 120.702 0.286 . . . . 0.0 111.645 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 22.8 t 38.53 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.724 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -95.15 25.64 4.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 148.26 30.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 111.239 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -161.25 161.18 30.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.449 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -84.23 -164.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.117 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.631 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 2.2 p-90 -106.5 -15.4 14.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER 35.19 -119.9 0.11 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.968 179.336 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -171.36 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.172 -0.33 . . . . 0.0 111.063 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 20.9 mmm-85 -152.44 23.69 0.62 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t -53.97 -25.51 12.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.915 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.691 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.691 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.591 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.623 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.8 m-85 80.11 -175.25 0.06 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 58.19 158.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.207 178.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -159.1 40.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.624 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.04 -159.24 0.58 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.815 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.6 ptt-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.264 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.691 0.281 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' HE3' ' CZ ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -67.04 -147.32 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 120.792 0.329 . . . . 0.0 111.307 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -139.52 -87.53 0.21 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.543 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER 167.35 -48.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.862 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 7' ' ' TYR . 4.4 mtt180 -160.55 -65.07 0.07 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.637 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t 50.76 -83.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.346 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.669 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.71 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.627 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 92.52 132.58 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 38.29 -87.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.67 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 5.7 mtm105 -62.24 -127.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.381 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -163.1 -162.18 0.74 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.784 0.325 . . . . 0.0 111.301 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 15.5 tpp85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.102 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.168 0.509 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -72.0 -150.31 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.905 -179.535 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.604 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -116.78 -80.6 0.61 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.458 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 4.0 p90 158.67 -46.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.595 0.712 . . . . 0.0 109.36 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -152.79 -70.19 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.696 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t 52.87 -84.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.635 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.723 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER 83.21 158.04 0.12 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -52.75 155.83 2.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -60.89 -31.46 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.205 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.47 -9.12 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.829 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.39 -150.9 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.523 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.587 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -119.64 -79.84 0.61 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 160.78 -138.16 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.239 -178.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.13 76.94 2.29 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.047 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.66 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 15.5 t -125.27 12.5 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.818 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.663 HD12 ' H ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.663 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER 79.23 -58.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -156.09 -57.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.362 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' NH1' ' CD1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER 76.73 18.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.333 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -129.61 -26.08 2.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.33 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 pttp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.893 0.377 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -71.07 -162.92 0.08 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.354 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.773 ' O ' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -111.87 -144.87 0.39 Allowed 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.212 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 167.87 -143.28 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -77.68 -152.02 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.756 0.312 . . . . 0.0 110.495 179.322 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.536 ' O ' ' CE2' ' A' ' 8' ' ' TYR . 19.0 t 72.93 8.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.611 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 91.75 -168.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' C ' ' HG2' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -40.67 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.27 -178.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 165.23 137.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.032 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 177.94 -167.26 0.06 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 110.674 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.314 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -68.51 -151.92 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -119.58 -125.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.049 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -176.75 -46.77 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.305 -0.247 . . . . 0.0 110.716 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 4' ' ' PHE . 26.4 mmt180 -165.96 -98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.318 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t 59.44 -79.33 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.243 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.668 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 91.78 71.45 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.16 -140.96 0.21 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.136 179.321 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.54 35.21 20.25 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.224 -0.297 . . . . 0.0 111.252 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 2.3 p90 -64.27 -34.94 79.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.925 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.928 0.394 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.6 p-90 -110.36 -7.82 14.76 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 40.25 -102.47 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.005 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.557 ' HD1' ' N ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 175.99 -119.23 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.258 -0.276 . . . . 0.0 110.259 -177.814 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 4.5 mtm180 -57.42 -71.52 0.1 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.208 0.528 . . . . 0.0 109.933 178.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 21.3 t 49.43 21.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.822 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.651 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 87.16 168.45 0.06 Allowed 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.46 113.39 24.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 62.66 -80.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 40.5 p90 -136.94 -44.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.4 ttt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.672 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.8 p-90 -119.94 -14.4 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 111.892 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 9.4 p90 42.6 -137.53 0.26 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.234 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 2.4 p90 -177.16 -51.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 117.777 0.262 . . . . 0.0 110.699 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.685 ' O ' ' N ' ' A' ' 7' ' ' TYR . 11.6 mmt180 -160.2 -96.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t 45.64 -75.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 C-N-CA 122.741 0.416 . . . . 0.0 111.003 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.697 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.697 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 87.6 -20.09 0.22 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HA ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 66.6 138.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.444 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.771 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 7.0 mmm180 -146.5 -72.44 0.23 Allowed 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.771 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 138.93 -0.96 0.0 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.128 0.571 . . . . 0.0 111.068 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.144 -179.199 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.687 0.279 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.771 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 6.5 p-90 -100.43 -146.0 0.34 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.654 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.759 ' O ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.55 142.13 20.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.771 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -154.1 -55.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.337 178.19 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 7' ' ' TYR . 5.0 mmm180 -153.93 -76.52 0.11 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.465 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t 48.04 -81.01 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.78 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.679 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 92.5 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -115.93 91.63 3.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.567 179.77 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.681 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 49.22 169.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.345 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' C ' ' O ' ' A' ' 15' ' ' ARG . 14.1 p90 3.09 -61.9 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.227 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.901 0.381 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.36 -140.73 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.735 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.88 30.69 1.06 Allowed 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.896 -0.138 . . . . 0.0 111.078 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HD1' ' C ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 32.91 -66.7 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.594 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.774 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -140.41 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 109.692 179.249 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t 51.93 -82.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.001 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -76.27 -68.52 0.58 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.44 -159.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.502 -179.228 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 6.2 mmm180 80.84 99.3 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 7.6 p90 -48.92 -29.69 5.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.375 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.18 -141.46 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -141.47 28.39 1.83 Allowed 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 116.892 -0.14 . . . . 0.0 111.363 -179.728 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 9.77 -126.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.632 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -67.43 -64.06 0.93 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.316 0.579 . . . . 0.0 112.536 -179.389 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 8' ' ' TYR . 56.1 t 70.6 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.485 -177.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.816 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.727 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.727 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.754 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 84.24 -70.65 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' NH1' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -142.86 -176.66 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.35 33.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 8.1 p90 -159.73 -159.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.886 . . . . 0.0 111.323 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.939 0.399 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -150.75 -139.2 0.09 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 -179.747 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 25.2 p90 -114.99 -17.97 11.36 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.005 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.782 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 1.7 p90 63.93 -165.22 0.24 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.554 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 3.8 mmm180 -30.84 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.328 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 6' ' ' VAL . 48.6 t 52.48 26.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.76 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 90.52 -38.63 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 169.33 164.16 0.05 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 111.227 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -152.61 108.24 3.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.621 179.687 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -115.43 -161.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.708 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.77 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -63.06 -145.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.521 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.24 8.89 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.397 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 22.58 -138.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.854 0.461 . . . . 0.0 112.092 179.767 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' TYR . 58.3 mmt-85 -57.13 -79.61 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 122.129 -0.357 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t 56.97 -72.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.594 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.636 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.17 108.84 4.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.24 130.85 16.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.379 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -58.6 157.18 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -144.34 -162.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.971 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.499 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -62.09 -147.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.871 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -109.92 -88.48 0.5 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 178.825 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.643 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 1.3 p90 164.3 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.097 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.643 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -172.52 28.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.811 0.844 . . . . 0.0 109.198 -177.14 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 90.3 t -74.35 129.64 36.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.143 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.804 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.722 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.804 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.784 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.722 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 89.22 179.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 147.69 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -97.06 -71.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 37.0 p90 -123.59 -43.06 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.6 ptp85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 3.1 p-90 -82.5 -151.31 0.1 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.426 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -153.61 -95.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.1 179.398 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 163.99 -106.13 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.318 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.1 mmm-85 -60.15 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.516 0.198 . . . . 0.0 110.579 178.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t 42.27 -72.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.768 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.568 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.685 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.673 ' CE1' HG21 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -92.6 -162.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -139.42 -155.52 0.6 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.414 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -26.65 2.57 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.695 0.283 . . . . 0.0 111.41 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.3 p90 -132.23 -48.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.5 mmt180 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.992 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 1.026 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -92.74 -139.74 0.2 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.825 ' CD2' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 172.91 127.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.474 0.654 . . . . 0.0 111.142 174.326 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.579 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -26.46 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.189 -1.368 . . . . 0.0 112.152 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 6.4 mtp180 -104.76 -66.47 0.96 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.535 0.683 . . . . 0.0 110.865 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t 65.83 -89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.714 -179.293 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.808 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.706 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.782 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 87.64 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -130.83 31.7 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.17 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 16' ' ' TYR . 5.8 mmm180 -72.44 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.322 -0.37 . . . . 0.0 110.144 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.798 ' HA ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -1.87 -115.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.325 0.65 . . . . 0.0 112.154 178.72 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.674 178.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -61.87 -148.86 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.697 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.77 -82.56 0.6 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.339 179.374 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.697 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 130.94 -146.03 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.559 0.743 . . . . 0.0 109.922 -178.533 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.69 89.49 0.15 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-O 120.968 0.413 . . . . 0.0 110.84 179.298 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 4' ' ' PHE . 5.7 t -133.57 22.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.115 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER 83.88 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 47.02 -79.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 178.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 82.88 -64.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.737 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 26.4 p90 -161.86 -45.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 tpp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.795 0.331 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 2.0 p-90 -62.32 -155.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.448 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 1.8 p90 -161.25 117.37 2.18 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.222 0.534 . . . . 0.0 111.79 -179.732 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.08 -126.0 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.541 178.731 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 17.5 mtm105 -50.4 -97.51 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.311 -0.243 . . . . 0.0 110.955 179.505 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 4' ' ' PHE . 3.4 t 64.65 13.43 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.09 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.644 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.644 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 86.52 -51.02 0.06 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.59 99.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -142.08 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -179.852 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -3.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.539 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.841 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 112.247 0.462 . . . . 2.2599999999999998 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.1800000000000002 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.0199999999999996 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.2599999999999998 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.1099999999999999 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 3.9700000000000002 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.4500000000000002 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 2.7999999999999998 111.582 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.589 ' O ' ' HD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.754 ' CE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 26.3 t . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.701 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.619 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 55.3 t . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.648 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.749 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 6' ' ' VAL . 21.9 t . . . . . 0 CA--C 1.515 -0.383 0 CA-C-O 121.515 0.674 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.723 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.671 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 6' ' ' VAL . 12.5 t . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.724 ' HE1' HG22 ' A' ' 11' ' ' ILE . 1.2 m-30 . . . . . 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 121.611 0.719 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.971 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 11' ' ' ILE . 3.2 m-30 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.822 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.651 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.729 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HG12 ' A' ' 6' ' ' VAL . 59.9 t . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.726 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 120.753 0.311 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.759 ' O ' HG12 ' A' ' 6' ' ' VAL . 53.5 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.83 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.83 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.612 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 2.8 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.676 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.69 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.676 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.614 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 6' ' ' VAL . 15.5 t . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 120.878 0.371 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' ' HH ' ' A' ' 13' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.927 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.647 ' O ' HG12 ' A' ' 6' ' ' VAL . 19.0 t . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.686 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 6' ' ' VAL . 21.3 t . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.683 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t . . . . . 0 CA--C 1.504 -0.822 0 CA-C-O 120.048 -0.025 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.79 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.602 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.79 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.689 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.79 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.36 0.124 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 8' ' ' TYR . 56.1 t . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.857 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.753 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.753 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.857 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.6 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 120.569 0.223 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.723 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.859 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.723 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.651 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.59 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.894 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.724 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.724 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.894 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 6' ' ' VAL . 5.7 t . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 121.316 0.579 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.73 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.73 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.4 t . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.884 0.373 . . . . 6.5099999999999998 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -66.72 -148.84 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.163 -0.471 . . . . 2.9300000000000002 111.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -128.58 -91.17 0.49 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.234 -0.439 . . . . 4.6200000000000001 110.348 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.6 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 159.84 -40.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 3.1499999999999999 110.331 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.0 mmm-85 -158.78 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.458 -0.792 . . . . 5.4400000000000004 109.282 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t 53.4 -76.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.913 -1.04 . . . . 2.2599999999999998 112.247 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.1800000000000002 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.0199999999999996 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.2599999999999998 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.1099999999999999 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 3.9700000000000002 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.4500000000000002 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 85.48 172.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 2.7999999999999998 111.582 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -60.58 85.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 7.0700000000000003 110.693 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -32.5 45.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 7.3300000000000001 111.194 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.4 p90 -57.34 -47.87 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 6.1600000000000001 111.051 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.3 mmp_? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.193 -0.908 . . . . 8.6099999999999994 110.913 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.788 0.328 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 5.7 p-90 -116.42 -70.88 0.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.659 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 141.92 -152.69 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.26 1.024 . . . . 0.0 109.543 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 31.0 p90 148.71 -44.92 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 111.345 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.794 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 1.46 107.78 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.306 -175.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -137.19 -36.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.782 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.754 ' CE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -92.85 -143.79 0.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.36 132.88 9.15 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.638 0.256 . . . . 0.0 110.645 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.56 -33.85 6.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -47.08 -26.74 1.14 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 9.9 ttm-85 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.773 0.32 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 1.1 p-90 -67.84 -146.71 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.667 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -131.74 -132.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.05 179.298 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 164.05 -140.71 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -69.53 46.31 0.07 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.96 0.41 . . . . 0.0 111.582 178.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.695 HG22 ' CE1' ' A' ' 4' ' ' PHE . 26.3 t -73.55 -9.35 12.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.701 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.619 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 87.98 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.87 100.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 16' ' ' TYR . 40.8 mtp180 -109.47 -13.16 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.373 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' ARG . 19.0 p90 23.88 -141.5 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.018 0.527 . . . . 0.0 111.759 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.906 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -63.22 -135.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -145.66 11.32 1.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 16.59 -89.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.303 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.1 mtp180 -111.33 -70.99 0.78 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 4' ' ' PHE . 55.3 t 55.65 -82.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.045 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.648 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.749 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 80.33 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' C ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 153.33 37.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.032 0.533 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG3' ' C ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 43.46 178.77 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 111.847 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 17.5 p90 -161.37 -48.1 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.327 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.4 p-90 -108.2 -9.45 15.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.645 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 48.83 -124.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.955 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 178.71 -133.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.031 0.378 . . . . 0.0 110.46 -178.496 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 7.5 mtp-105 -67.07 68.26 0.07 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.299 0.571 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 6' ' ' VAL . 21.9 t -119.54 26.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.723 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 88.74 35.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.12 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.415 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -179.56 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.436 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.9 tpm_? . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.824 0.345 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 4' ' ' PHE . 2.7 p-90 -73.59 -147.43 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' HG21 ' A' ' 6' ' ' VAL . 7.0 p90 -161.83 113.93 1.74 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.328 0.585 . . . . 0.0 111.587 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' HE1' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -61.29 -129.35 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.205 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 mmm-85 -49.6 -93.7 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.315 -0.241 . . . . 0.0 111.157 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 6' ' ' VAL . 12.5 t 67.28 18.65 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.724 ' HE1' HG22 ' A' ' 11' ' ' ILE . 1.2 m-30 91.87 27.43 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.58 -173.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.378 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -110.07 95.93 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -62.37 -155.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.871 0.367 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.85 -148.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.599 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -143.62 18.64 1.84 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.136 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 23.64 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -138.57 -54.43 0.61 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 34.8 t 41.05 105.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.166 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.971 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 11' ' ' ILE . 3.2 m-30 -108.27 -44.21 4.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.94 49.22 2.93 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.676 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.29 41.86 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -83.19 -174.79 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -66.14 -145.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.256 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -132.51 -61.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.536 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CE1' HG23 ' A' ' 6' ' ' VAL . 27.5 p90 170.55 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.686 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 12.5 mmt85 -60.28 -130.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.507 0.323 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t 96.61 -44.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 123.564 0.746 . . . . 0.0 111.857 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.822 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.651 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.729 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 89.56 34.21 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 1.6 tpt85 175.17 178.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.2 57.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.268 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.38 -179.57 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.496 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.726 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.772 0.32 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 4' ' ' PHE . 4.2 p-90 -85.59 -158.92 0.41 Allowed 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -150.56 -92.51 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -176.29 -64.42 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.46 0.172 . . . . 0.0 111.451 -177.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -134.45 30.09 3.55 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.702 0.763 . . . . 0.0 110.337 179.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.64 ' O ' HG12 ' A' ' 6' ' ' VAL . 59.9 t -88.43 3.56 5.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.726 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 85.73 62.19 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 15' ' ' ARG . 2.8 mtt85 82.79 -0.92 1.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.676 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER 25.33 110.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -58.72 -156.33 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.44 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.149 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -64.46 -148.33 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.716 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.21 -91.9 0.51 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.716 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 153.09 -136.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.058 0.543 . . . . 0.0 109.975 -178.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.04 57.44 2.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.958 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t -81.23 -13.35 12.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.788 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 88.53 -150.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -86.12 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 52.8 mmt-85 47.14 73.88 0.17 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 111.269 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -91.13 -162.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.019 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.831 0.348 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.517 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -67.5 -160.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -115.37 -109.2 0.36 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.825 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 19.5 p90 -165.91 -149.35 0.11 Allowed 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.308 -0.245 . . . . 0.0 110.549 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.57 -61.86 2.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.666 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.825 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 53.5 t 60.91 23.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.83 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.83 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 91.17 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -87.46 163.59 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.695 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 151.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -67.98 -159.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -61.92 -149.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -141.17 12.97 2.21 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 21.03 -145.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.576 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.659 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -56.8 -152.21 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.134 0.174 . . . . 0.0 110.648 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t 108.56 -43.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 123.656 0.782 . . . . 0.0 109.695 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 -109.22 144.75 36.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.47 -46.07 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.486 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 125.48 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 111.379 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 13.1 p90 -113.19 -156.59 0.6 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 32.2 mtm-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.545 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.86 0.362 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.454 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -60.26 -156.45 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.075 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.58 -121.32 0.29 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.28 179.201 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 171.25 -135.34 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.601 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 7.4 mtt85 -45.77 -79.19 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 120.702 0.286 . . . . 0.0 111.645 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.8 t 38.53 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.724 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.782 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -95.15 25.64 4.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 148.26 30.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 111.239 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -161.25 161.18 30.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.449 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -84.23 -164.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.117 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.631 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 2.2 p-90 -106.5 -15.4 14.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER 35.19 -119.9 0.11 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.968 179.336 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -171.36 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.172 -0.33 . . . . 0.0 111.063 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 20.9 mmm-85 -152.44 23.69 0.62 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t -53.97 -25.51 12.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.915 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.612 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 2.8 m-85 80.11 -175.25 0.06 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 58.19 158.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.207 178.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -159.1 40.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.624 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.04 -159.24 0.58 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.815 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.6 ptt-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.264 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.691 0.281 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' HE3' ' CZ ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -67.04 -147.32 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 120.792 0.329 . . . . 0.0 111.307 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -139.52 -87.53 0.21 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.543 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 167.35 -48.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.862 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 7' ' ' TYR . 4.4 mtt180 -160.55 -65.07 0.07 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.637 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t 50.76 -83.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.346 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.676 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.69 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.676 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 92.52 132.58 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 38.29 -87.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.67 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 5.7 mtm105 -62.24 -127.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.381 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -163.1 -162.18 0.74 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.784 0.325 . . . . 0.0 111.301 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 15.5 tpp85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.102 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.168 0.509 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -72.0 -150.31 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.905 -179.535 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -116.78 -80.6 0.61 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.458 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 4.0 p90 158.67 -46.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.595 0.712 . . . . 0.0 109.36 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -152.79 -70.19 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.696 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t 52.87 -84.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.614 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER 83.21 158.04 0.12 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -52.75 155.83 2.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -60.89 -31.46 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.205 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.47 -9.12 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.829 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.39 -150.9 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.523 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.592 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -119.64 -79.84 0.61 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 160.78 -138.16 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.239 -178.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.13 76.94 2.29 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.047 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.66 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 15.5 t -125.27 12.5 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.818 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' ' HH ' ' A' ' 13' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.927 ' C ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER 79.23 -58.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -156.09 -57.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.362 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER 76.73 18.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.333 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -129.61 -26.08 2.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.33 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 pttp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.893 0.377 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -71.07 -162.92 0.08 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.354 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.773 ' O ' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -111.87 -144.87 0.39 Allowed 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.212 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 167.87 -143.28 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -77.68 -152.02 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.756 0.312 . . . . 0.0 110.495 179.322 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.647 ' O ' HG12 ' A' ' 6' ' ' VAL . 19.0 t 72.93 8.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.703 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 91.75 -168.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -40.67 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.27 -178.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 165.23 137.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.032 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 177.94 -167.26 0.06 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 110.674 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.314 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -68.51 -151.92 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -119.58 -125.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.049 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -176.75 -46.77 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.305 -0.247 . . . . 0.0 110.716 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' PHE . 26.4 mmt180 -165.96 -98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.318 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t 59.44 -79.33 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.243 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.686 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 91.78 71.45 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.16 -140.96 0.21 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.136 179.321 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.54 35.21 20.25 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.224 -0.297 . . . . 0.0 111.252 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 2.3 p90 -64.27 -34.94 79.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.925 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.928 0.394 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.6 p-90 -110.36 -7.82 14.76 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 40.25 -102.47 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.005 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' HD1' ' N ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 175.99 -119.23 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.258 -0.276 . . . . 0.0 110.259 -177.814 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.562 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 4.5 mtm180 -57.42 -71.52 0.1 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.208 0.528 . . . . 0.0 109.933 178.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.681 ' O ' HG12 ' A' ' 6' ' ' VAL . 21.3 t 49.43 21.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.822 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.683 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 87.16 168.45 0.06 Allowed 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.46 113.39 24.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 62.66 -80.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 40.5 p90 -136.94 -44.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.4 ttt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.672 ' CE3' ' O ' ' A' ' 2' ' ' TRP . 1.8 p-90 -119.94 -14.4 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 111.892 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 9.4 p90 42.6 -137.53 0.26 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.234 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.836 ' CZ ' HG23 ' A' ' 6' ' ' VAL . 2.4 p90 -177.16 -51.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 117.777 0.262 . . . . 0.0 110.699 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.685 ' O ' ' N ' ' A' ' 7' ' ' TYR . 11.6 mmt180 -160.2 -96.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t 45.64 -75.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 C-N-CA 122.741 0.416 . . . . 0.0 111.003 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.79 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.602 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.79 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 87.6 -20.09 0.22 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HA ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 66.6 138.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.444 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.74 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 7.0 mmm180 -146.5 -72.44 0.23 Allowed 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 138.93 -0.96 0.0 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.128 0.571 . . . . 0.0 111.068 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.144 -179.199 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.687 0.279 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.778 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 6.5 p-90 -100.43 -146.0 0.34 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.654 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.759 ' O ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.55 142.13 20.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -154.1 -55.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.337 178.19 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 7' ' ' TYR . 5.0 mmm180 -153.93 -76.52 0.11 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.465 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t 48.04 -81.01 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.78 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.689 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.79 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 92.5 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -115.93 91.63 3.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.567 179.77 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 49.22 169.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.345 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' C ' ' O ' ' A' ' 15' ' ' ARG . 14.1 p90 3.09 -61.9 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.227 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.901 0.381 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.36 -140.73 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.735 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.88 30.69 1.06 Allowed 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.896 -0.138 . . . . 0.0 111.078 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.91 -66.7 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.594 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.774 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -140.41 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 109.692 179.249 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t 51.93 -82.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.001 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -76.27 -68.52 0.58 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.44 -159.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.502 -179.228 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 6.2 mmm180 80.84 99.3 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 7.6 p90 -48.92 -29.69 5.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.375 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.18 -141.46 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -141.47 28.39 1.83 Allowed 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 116.892 -0.14 . . . . 0.0 111.363 -179.728 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 9.77 -126.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -67.43 -64.06 0.93 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.316 0.579 . . . . 0.0 112.536 -179.389 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 3' ' ' TYR . 56.1 t 70.6 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.485 -177.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.857 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.753 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.753 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.857 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 84.24 -70.65 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' NH1' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -142.86 -176.66 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.35 33.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 8.1 p90 -159.73 -159.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.886 . . . . 0.0 111.323 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.939 0.399 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.59 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -150.75 -139.2 0.09 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 -179.747 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 25.2 p90 -114.99 -17.97 11.36 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.005 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.782 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 1.7 p90 63.93 -165.22 0.24 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 3.8 mmm180 -30.84 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.328 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.6 t 52.48 26.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 90.52 -38.63 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 169.33 164.16 0.05 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 111.227 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -152.61 108.24 3.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.621 179.687 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -115.43 -161.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.708 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.77 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -63.06 -145.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.24 8.89 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.397 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 22.58 -138.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.854 0.461 . . . . 0.0 112.092 179.767 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' TYR . 58.3 mmt-85 -57.13 -79.61 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 122.129 -0.357 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t 56.97 -72.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.594 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.17 108.84 4.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.24 130.85 16.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.379 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -58.6 157.18 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -144.34 -162.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.971 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.499 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -62.09 -147.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.871 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -109.92 -88.48 0.5 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 178.825 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.654 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 1.3 p90 164.3 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.097 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -172.52 28.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.811 0.844 . . . . 0.0 109.198 -177.14 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 90.3 t -74.35 129.64 36.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.143 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.723 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.859 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.723 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 89.22 179.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 147.69 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -97.06 -71.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 37.0 p90 -123.59 -43.06 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.6 ptp85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 3.1 p-90 -82.5 -151.31 0.1 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.426 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -153.61 -95.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.1 179.398 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 163.99 -106.13 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.318 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.1 mmm-85 -60.15 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.516 0.198 . . . . 0.0 110.579 178.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t 42.27 -72.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.768 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.879 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -92.6 -162.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -139.42 -155.52 0.6 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.414 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -26.65 2.57 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.695 0.283 . . . . 0.0 111.41 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.3 p90 -132.23 -48.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.5 mmt180 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.992 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 1.026 ' C ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -92.74 -139.74 0.2 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.825 ' CD2' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 172.91 127.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.474 0.654 . . . . 0.0 111.142 174.326 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -26.46 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.189 -1.368 . . . . 0.0 112.152 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 6.4 mtp180 -104.76 -66.47 0.96 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.535 0.683 . . . . 0.0 110.865 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t 65.83 -89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.714 -179.293 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.894 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.724 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.724 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.894 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 87.64 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -130.83 31.7 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.17 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 16' ' ' TYR . 5.8 mmm180 -72.44 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.322 -0.37 . . . . 0.0 110.144 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.839 ' HA ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -1.87 -115.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.325 0.65 . . . . 0.0 112.154 178.72 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.674 178.595 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -61.87 -148.86 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.77 -82.56 0.6 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.339 179.374 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.741 ' CE1' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 130.94 -146.03 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.559 0.743 . . . . 0.0 109.922 -178.533 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.69 89.49 0.15 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-O 120.968 0.413 . . . . 0.0 110.84 179.298 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG22 ' CE1' ' A' ' 4' ' ' PHE . 5.7 t -133.57 22.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.115 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.73 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.73 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 83.88 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 47.02 -79.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 178.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 82.88 -64.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.737 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 26.4 p90 -161.86 -45.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 tpp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.795 0.331 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 2.0 p-90 -62.32 -155.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 6' ' ' VAL . 1.8 p90 -161.25 117.37 2.18 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.222 0.534 . . . . 0.0 111.79 -179.732 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' HE1' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.08 -126.0 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.541 178.731 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 17.5 mtm105 -50.4 -97.51 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.311 -0.243 . . . . 0.0 110.955 179.505 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 3' ' ' TYR . 3.4 t 64.65 13.43 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.09 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 86.52 -51.02 0.06 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.59 99.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -142.08 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -179.852 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -3.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.539 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.841 -179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 112.247 0.462 . . . . 2.26 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.18 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.02 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.26 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.11 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 3.97 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.45 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 2.8 111.582 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.589 ' O ' ' HD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.754 ' CE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.68 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 26.3 t . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.701 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.619 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 ' O ' ' CG ' ' A' ' 7' ' ' TYR . 55.3 t . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.648 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.849 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.749 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 6' ' ' VAL . 21.9 t . . . . . 0 CA--C 1.515 -0.383 0 CA-C-O 121.515 0.674 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.723 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.671 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 6' ' ' VAL . 12.5 t . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.724 ' HE1' HG22 ' A' ' 11' ' ' ILE . 1.2 m-30 . . . . . 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.8 t . . . . . 0 CA--C 1.508 -0.651 0 CA-C-O 121.611 0.719 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.971 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 11' ' ' ILE . 3.2 m-30 . . . . . 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t . . . . . 0 CA--C 1.508 -0.672 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.822 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.651 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.729 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' VAL . 59.9 t . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.509 0.671 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.726 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t . . . . . 0 C--O 1.217 -0.611 0 CA-C-O 120.753 0.311 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.759 HG12 ' O ' ' A' ' 6' ' ' VAL . 53.5 t . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.83 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.83 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t . . . . . 0 N--CA 1.467 0.388 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.129 0.49 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.612 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 2.8 m-85 . . . . . 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.676 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.69 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.676 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.586 -0.153 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.614 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 6' ' ' VAL . 15.5 t . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 120.878 0.371 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' ' HH ' ' A' ' 13' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.927 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 6' ' ' VAL . 19.0 t . . . . . 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.703 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t . . . . . 0 CA--C 1.512 -0.496 0 N-CA-C 111.243 0.09 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.686 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 6' ' ' VAL . 21.3 t . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.683 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t . . . . . 0 CA--C 1.504 -0.822 0 CA-C-O 120.048 -0.025 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.79 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.602 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.79 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t . . . . . 0 CA--C 1.511 -0.523 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.689 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.36 0.124 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.825 ' O ' ' N ' ' A' ' 8' ' ' TYR . 56.1 t . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.857 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.753 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.753 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.857 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 6' ' ' VAL . 48.6 t . . . . . 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t . . . . . 0 CA--C 1.515 -0.378 0 CA-C-O 120.569 0.223 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.723 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.859 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.723 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER . . . . . 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.651 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.59 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 119.756 -0.164 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.894 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.724 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.724 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.894 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 6' ' ' VAL . 5.7 t . . . . . 0 CA--C 1.511 -0.54 0 CA-C-O 121.316 0.579 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.73 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.73 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 6' ' ' VAL . 3.4 t . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.884 0.373 . . . . 6.51 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -66.72 -148.84 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.163 -0.471 . . . . 2.93 111.021 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -128.58 -91.17 0.49 Allowed 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.234 -0.439 . . . . 4.62 110.348 179.098 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.6 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 159.84 -40.89 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 3.15 110.331 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' TYR . 9.0 mmm-85 -158.78 -74.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.458 -0.792 . . . . 5.44 109.282 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.971 ' O ' ' N ' ' A' ' 8' ' ' TYR . 70.1 t 53.4 -76.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 114.913 -1.04 . . . . 2.26 112.247 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.802 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 8.21 -41.92 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.729 1.751 . . . . 3.18 115.729 179.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.971 ' N ' ' O ' ' A' ' 6' ' ' VAL . 0.3 OUTLIER 51.79 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 124.132 0.973 . . . . 4.02 111.032 -177.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 7' ' ' TYR . 11.6 ptt85 -131.22 33.28 4.14 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.59 -0.892 . . . . 6.26 108.59 177.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.732 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.73 -85.94 1.79 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 114.777 -1.101 . . . . 3.11 113.056 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 165.66 64.27 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.826 0.822 . . . . 3.97 111.708 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.5 m-85 30.44 -58.28 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 4.45 115.253 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.779 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER 85.48 172.27 0.06 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 120.801 0.334 . . . . 2.8 111.582 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -60.58 85.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 7.07 110.693 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -32.5 45.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 7.33 111.194 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.4 p90 -57.34 -47.87 80.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 6.16 111.051 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.3 mmp_? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.193 -0.908 . . . . 8.61 110.913 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.788 0.328 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.785 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 5.7 p-90 -116.42 -70.88 0.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.659 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 141.92 -152.69 0.0 OUTLIER 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 124.26 1.024 . . . . 0.0 109.543 178.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.794 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 31.0 p90 148.71 -44.92 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 111.345 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.794 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 1.46 107.78 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.306 -175.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -137.19 -36.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 113.545 -1.661 . . . . 0.0 109.782 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -15.42 -42.11 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 11.0 p90 32.6 68.24 0.14 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.786 0.326 . . . . 0.0 111.091 178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 3.3 ptt180 67.37 28.36 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -112.28 -95.06 2.21 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.093 -0.958 . . . . 0.0 113.02 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 179.78 65.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.361 0.6 . . . . 0.0 111.631 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 30.4 m-85 12.49 95.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.396 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.754 ' CE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -92.85 -143.79 0.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.723 -179.144 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.36 132.88 9.15 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.638 0.256 . . . . 0.0 110.645 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HD3' ' HB2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -110.56 -33.85 6.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.43 -179.689 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -47.08 -26.74 1.14 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.832 0.349 . . . . 0.0 111.122 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.424 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 9.9 ttm-85 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.773 0.32 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 1.1 p-90 -67.84 -146.71 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.46 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.667 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -131.74 -132.5 0.19 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.756 -0.164 . . . . 0.0 111.05 179.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.695 ' CE1' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 164.05 -140.71 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -178.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -69.53 46.31 0.07 Allowed 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.96 0.41 . . . . 0.0 111.582 178.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.695 HG22 ' CE1' ' A' ' 4' ' ' PHE . 26.3 t -73.55 -9.35 12.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 CA-C-O 121.216 0.531 . . . . 0.0 111.274 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.16 -27.7 22.52 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.918 -178.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.76 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 41.05 -67.49 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.472 -176.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.771 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -139.76 37.5 2.0 Allowed 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.701 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -114.53 -85.49 1.32 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.296 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER 168.6 59.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 121.609 0.719 . . . . 0.0 112.33 -179.637 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.619 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 17.9 m-85 37.22 -63.9 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 87.98 -70.15 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.857 0.36 . . . . 0.0 111.096 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.87 100.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 16' ' ' TYR . 40.8 mtp180 -109.47 -13.16 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.373 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' ARG . 19.0 p90 23.88 -141.5 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.018 0.527 . . . . 0.0 111.759 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.906 179.038 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.768 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -63.22 -135.12 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -145.66 11.32 1.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.656 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 16.59 -89.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.1 mtp180 -111.33 -70.99 0.78 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.656 HG23 ' CE1' ' A' ' 4' ' ' PHE . 55.3 t 55.65 -82.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.045 178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.849 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 77.97 -34.97 0.19 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 178.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.745 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 61.28 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.395 0.617 . . . . 0.0 110.273 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -126.59 -7.28 6.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.629 178.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.648 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -70.94 -95.86 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.624 -0.716 . . . . 0.0 114.08 -179.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.849 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 167.66 72.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -179.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.749 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 5.2 m-30 29.02 -55.41 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.791 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER 80.33 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 179.184 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' C ' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 153.33 37.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.032 0.533 . . . . 0.0 110.4 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' HG3' ' C ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 43.46 178.77 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.178 0.513 . . . . 0.0 111.847 -179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 17.5 p90 -161.37 -48.1 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.327 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 16' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.531 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.4 p-90 -108.2 -9.45 15.54 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.645 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.53 ' CG ' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER 48.83 -124.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.955 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.506 ' HD1' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER 178.71 -133.2 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.031 0.378 . . . . 0.0 110.46 -178.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 7.5 mtp-105 -67.07 68.26 0.07 Allowed 'General case' 0 C--N 1.339 0.147 0 CA-C-O 121.299 0.571 . . . . 0.0 110.581 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.625 HG12 ' O ' ' A' ' 6' ' ' VAL . 21.9 t -119.54 26.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.761 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -100.67 -22.1 15.03 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.819 -178.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.761 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 48.63 -79.46 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.567 -177.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 7' ' ' TYR . 2.3 ptm180 -134.55 36.02 3.16 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.715 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.42 -84.05 1.47 Allowed Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.735 -178.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.723 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 164.67 61.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-O 121.683 0.754 . . . . 0.0 112.001 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.671 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 3.6 m-85 37.74 -67.35 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.709 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER 88.74 35.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 122.777 0.431 . . . . 0.0 110.945 -179.809 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.12 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.415 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -81.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -179.56 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.436 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 4.9 tpm_? . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.824 0.345 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' CH2' ' HA ' ' A' ' 4' ' ' PHE . 2.7 p-90 -73.59 -147.43 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.645 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.511 ' HB2' HG21 ' A' ' 6' ' ' VAL . 7.0 p90 -161.83 113.93 1.74 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.328 0.585 . . . . 0.0 111.587 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' HE1' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -61.29 -129.35 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.205 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 3.7 mmm-85 -49.6 -93.7 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.315 -0.241 . . . . 0.0 111.157 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 6' ' ' VAL . 12.5 t 67.28 18.65 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 112.003 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.782 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -92.98 -29.1 16.02 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 121.497 0.665 . . . . 0.0 111.265 -178.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.782 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.08 -68.95 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.001 -1.454 . . . . 0.0 112.034 -178.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.706 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.0 ptp180 -140.04 34.14 1.94 Allowed 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.76 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.83 -83.47 1.56 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.271 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.76 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.2 OUTLIER 164.73 59.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 CA-C-O 121.541 0.686 . . . . 0.0 112.354 179.357 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' H ' ' CB ' ' A' ' 7' ' ' TYR . 19.5 m-85 39.78 -67.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.724 ' HE1' HG22 ' A' ' 11' ' ' ILE . 1.2 m-30 91.87 27.43 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.717 0.407 . . . . 0.0 111.367 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 48.58 -173.31 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.378 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -110.07 95.93 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -62.37 -155.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 tttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.871 0.367 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.465 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.85 -148.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.599 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -143.62 18.64 1.84 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.136 -179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.552 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 23.64 -76.3 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -138.57 -54.43 0.61 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 111.098 179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.552 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 34.8 t 41.05 105.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.651 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.166 -179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -174.37 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.178 -178.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.806 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 53.07 -67.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.872 -178.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.733 ' N ' ' O ' ' A' ' 7' ' ' TYR . 7.7 ptt85 -145.65 43.5 1.27 Allowed 'General case' 0 C--N 1.309 -1.164 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 177.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -120.2 -88.75 1.1 Allowed Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 117.701 1.84 . . . . 0.0 117.701 -174.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.971 ' H ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -161.77 48.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 N-CA-C 118.172 2.656 . . . . 0.0 118.172 -170.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.733 ' HD1' ' CG ' ' A' ' 7' ' ' TYR . 1.1 m-85 -16.91 137.04 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.407 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.75 ' CE1' HD13 ' A' ' 11' ' ' ILE . 3.2 m-30 -108.27 -44.21 4.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.772 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.94 49.22 2.93 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.676 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.29 41.86 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -83.19 -174.79 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.768 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -66.14 -145.18 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.256 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -132.51 -61.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.88 0.371 . . . . 0.0 110.536 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.485 ' CE1' HG23 ' A' ' 6' ' ' VAL . 27.5 p90 170.55 -147.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.686 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.643 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 12.5 mmt85 -60.28 -130.53 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 122.507 0.323 . . . . 0.0 110.916 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.876 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.9 t 96.61 -44.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 C-N-CA 123.564 0.746 . . . . 0.0 111.857 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.822 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 7.57 -53.85 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.532 1.145 . . . . 0.0 113.786 179.374 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.876 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.2 p90 41.67 90.87 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.328 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 35.79 34.33 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.693 0.758 . . . . 0.0 109.758 -179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.651 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.94 -93.97 1.77 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.687 -1.142 . . . . 0.0 112.444 -177.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.729 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 170.52 62.18 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 112.454 179.174 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 1.9 m-85 38.99 -64.9 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.729 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 89.56 34.21 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.317 0.58 . . . . 0.0 111.121 179.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 1.6 tpt85 175.17 178.27 0.15 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.2 57.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.268 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -115.38 -179.57 3.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.496 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.726 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.772 0.32 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 4' ' ' PHE . 4.2 p-90 -85.59 -158.92 0.41 Allowed 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.362 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -150.56 -92.51 0.06 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -176.29 -64.42 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.46 0.172 . . . . 0.0 111.451 -177.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.2 OUTLIER -134.45 30.09 3.55 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.702 0.763 . . . . 0.0 110.337 179.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 6' ' ' VAL . 59.9 t -88.43 3.56 5.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.726 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -59.04 -32.56 69.86 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.854 -178.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 22.84 54.55 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.991 -1.004 . . . . 0.0 113.036 178.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 3.6 ptp85 97.76 18.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.207 0.603 . . . . 0.0 110.378 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.725 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -102.0 -82.25 1.63 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 167.05 54.3 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.722 0.772 . . . . 0.0 112.239 178.589 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.2 m-85 39.42 -63.5 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 85.73 62.19 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.806 0.336 . . . . 0.0 110.745 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 15' ' ' ARG . 2.8 mtt85 82.79 -0.92 1.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.676 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.53 ' O ' ' O ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER 25.33 110.3 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -58.72 -156.33 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 179.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.149 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.859 0.361 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -64.46 -148.33 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.716 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -126.21 -91.9 0.51 Allowed 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.032 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.716 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 153.09 -136.8 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.058 0.543 . . . . 0.0 109.975 -178.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -79.04 57.44 2.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.958 179.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.793 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 44.7 t -81.23 -13.35 12.65 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.611 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.788 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.683 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -47.47 -20.57 0.24 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.116 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.793 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.1 OUTLIER 44.63 -80.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -176.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -133.96 35.36 3.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.447 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -115.45 -99.88 2.24 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.877 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.852 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -174.84 76.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.5 m-30 26.4 -60.27 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.852 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 88.53 -150.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.626 0.37 . . . . 0.0 111.014 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -86.12 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 3' ' ' TYR . 52.8 mmt-85 47.14 73.88 0.17 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.855 0.359 . . . . 0.0 111.269 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.457 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -91.13 -162.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.681 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.019 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.831 0.348 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.517 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -67.5 -160.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.622 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -115.37 -109.2 0.36 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.825 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 19.5 p90 -165.91 -149.35 0.11 Allowed 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.308 -0.245 . . . . 0.0 110.549 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -59.57 -61.86 2.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.666 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.825 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 53.5 t 60.91 23.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 122.204 1.002 . . . . 0.0 108.644 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -96.83 -76.31 0.52 Allowed 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.089 -1.414 . . . . 0.0 112.016 -177.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 57.14 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.966 -178.022 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -123.44 23.4 8.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.85 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.83 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -110.53 -94.58 2.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.568 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.83 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 155.53 61.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.654 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 4.8 m-85 43.29 -72.37 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.654 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 91.17 -169.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.325 0.65 . . . . 0.0 111.065 -179.471 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -87.46 163.59 16.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.695 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.1 151.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.314 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -67.98 -159.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.174 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.898 0.38 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -61.92 -149.08 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.568 ' O ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -141.17 12.97 2.21 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 21.03 -145.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 179.576 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.659 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -56.8 -152.21 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.134 0.174 . . . . 0.0 110.648 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.783 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.3 t 108.56 -43.74 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 123.656 0.782 . . . . 0.0 109.695 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.679 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER 1.04 -48.02 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.663 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.783 ' N ' ' O ' ' A' ' 6' ' ' VAL . 36.5 p90 42.54 84.02 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.164 0.507 . . . . 0.0 111.92 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.5 28.15 1.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.335 0.588 . . . . 0.0 109.714 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -107.59 -49.74 0.84 Allowed Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.175 -179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 128.58 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 C-N-CA 124.707 1.203 . . . . 0.0 110.769 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.577 ' HA ' ' HB3' ' A' ' 7' ' ' TYR . 49.6 m-85 -20.34 134.91 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE1' ' O ' ' A' ' 11' ' ' ILE . 1.9 m-85 -109.22 144.75 36.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.22 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.47 -46.07 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.486 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.94 125.48 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 111.379 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 13.1 p90 -113.19 -156.59 0.6 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 32.2 mtm-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.249 -0.882 . . . . 0.0 111.545 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.86 0.362 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -60.26 -156.45 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.075 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.542 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -121.58 -121.32 0.29 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.28 179.201 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 171.25 -135.34 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.601 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 12' ' ' TYR . 7.4 mtt85 -45.77 -79.19 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.084 0 CA-C-O 120.702 0.286 . . . . 0.0 111.645 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 4' ' ' PHE . 22.8 t 38.53 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.688 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.724 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.797 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -159.37 -35.78 0.06 Allowed 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.327 -179.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.797 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER 46.62 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.699 -178.513 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.0 ptp85 -121.96 40.9 3.52 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.692 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -116.51 -99.56 2.13 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.178 -1.374 . . . . 0.0 113.414 -177.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.71 68.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' C ' ' O ' ' A' ' 11' ' ' ILE . 3.2 m-85 9.28 98.79 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.763 178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -95.15 25.64 4.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.753 0.311 . . . . 0.0 111.586 -178.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.88 148.26 30.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 0.0 111.239 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -161.25 161.18 30.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.449 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CE1' ' HB2' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -84.23 -164.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.14 -0.934 . . . . 0.0 111.117 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.631 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 2.2 p-90 -106.5 -15.4 14.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.352 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER 35.19 -119.9 0.11 Allowed 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.968 179.336 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -171.36 -59.74 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.172 -0.33 . . . . 0.0 111.063 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.475 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 20.9 mmm-85 -152.44 23.69 0.62 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 121.092 0.472 . . . . 0.0 109.909 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.775 ' O ' ' CD2' ' A' ' 8' ' ' TYR . 77.2 t -53.97 -25.51 12.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.915 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.771 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -20.54 -36.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.775 ' CD2' ' O ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER 47.07 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 124.499 1.119 . . . . 0.0 112.666 -177.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.684 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -145.46 29.89 1.13 Allowed 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.707 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.9 -83.2 1.58 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.97 -178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 162.62 71.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 122.581 1.182 . . . . 0.0 110.849 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.612 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 20.1 m-85 23.21 -61.4 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 2.8 m-85 80.11 -175.25 0.06 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 58.19 158.89 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 0.0 111.207 178.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -159.1 40.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.624 179.534 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -90.04 -159.24 0.58 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.815 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.6 ptt-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.264 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.691 0.281 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.481 ' HE3' ' CZ ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -67.04 -147.32 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 120.792 0.329 . . . . 0.0 111.307 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.577 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -139.52 -87.53 0.21 Allowed 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.543 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER 167.35 -48.49 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.123 0.487 . . . . 0.0 109.862 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 7' ' ' TYR . 4.4 mtt180 -160.55 -65.07 0.07 Allowed 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.637 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.83 ' O ' ' N ' ' A' ' 8' ' ' TYR . 22.3 t 50.76 -83.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.346 -179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.676 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 46.53 -61.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 123.655 0.597 . . . . 0.0 111.644 178.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.83 ' N ' ' O ' ' A' ' 6' ' ' VAL . 13.5 p90 33.23 85.42 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 123.947 0.899 . . . . 0.0 112.306 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.2 ptt-85 47.22 25.7 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.515 0.674 . . . . 0.0 109.272 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.69 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -103.17 -94.92 2.31 Favored Glycine 0 N--CA 1.432 -1.598 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.152 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.69 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 169.77 56.45 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 178.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.676 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 10.6 m-30 46.12 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.627 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 92.52 132.58 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.53 0.732 . . . . 0.0 112.317 179.079 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 38.29 -87.41 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.67 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 5.7 mtm105 -62.24 -127.97 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.381 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -163.1 -162.18 0.74 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.784 0.325 . . . . 0.0 111.301 -179.498 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 15.5 tpp85 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.102 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.168 0.509 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -72.0 -150.31 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.905 -179.535 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -116.78 -80.6 0.61 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.458 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.606 ' HB3' ' O ' ' A' ' 3' ' ' TYR . 4.0 p90 158.67 -46.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.595 0.712 . . . . 0.0 109.36 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -152.79 -70.19 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.696 -179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.836 ' O ' ' N ' ' A' ' 8' ' ' TYR . 11.5 t 52.87 -84.82 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.586 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.684 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 44.8 -62.77 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.223 0.535 . . . . 0.0 111.988 178.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.836 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.2 p90 39.84 87.36 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.093 0.957 . . . . 0.0 112.415 179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 42.94 27.26 0.1 Allowed 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.539 0.685 . . . . 0.0 109.815 -179.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.652 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.16 -92.84 2.28 Favored Glycine 0 N--CA 1.429 -1.776 0 CA-C-N 114.783 -1.098 . . . . 0.0 111.868 -178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 172.39 57.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.614 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 14.6 m-85 45.08 -72.54 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 177.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.601 ' CG ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER 83.21 158.04 0.12 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 122.824 0.449 . . . . 0.0 111.018 -179.024 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -52.75 155.83 2.17 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -60.89 -31.46 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.205 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.47 -9.12 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.829 179.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -60.39 -150.9 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.523 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.592 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -119.64 -79.84 0.61 Allowed 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.099 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' CG2' ' A' ' 6' ' ' VAL . 0.2 OUTLIER 160.78 -138.16 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.239 -178.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.13 76.94 2.29 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.047 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.66 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 15.5 t -125.27 12.5 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.818 -179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.714 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -90.84 -29.14 17.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.714 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 p90 29.1 -123.86 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.4 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 56.1 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' HA3' ' HH ' ' A' ' 13' ' ' TYR . . . -131.53 -91.81 0.55 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.814 -0.63 . . . . 0.0 113.458 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.927 HD13 ' C ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 168.63 -22.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -178.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 9.6 m-30 126.33 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.387 1.475 . . . . 0.0 110.432 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER 79.23 -58.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 176.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' HG2' ' CE1' ' A' ' 16' ' ' TYR . 0.9 OUTLIER -156.09 -57.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.362 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' CD2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER 76.73 18.6 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.333 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -129.61 -26.08 2.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 111.33 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.5 pttp . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.893 0.377 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.773 ' CE2' ' O ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -71.07 -162.92 0.08 Allowed 'General case' 0 N--CA 1.437 -1.124 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.354 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.773 ' O ' ' CE2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -111.87 -144.87 0.39 Allowed 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.212 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' N ' ' HD1' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 167.87 -143.28 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.6 OUTLIER -77.68 -152.02 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.756 0.312 . . . . 0.0 110.495 179.322 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 6' ' ' VAL . 19.0 t 72.93 8.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -95.36 -34.15 12.25 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.574 178.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.703 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 20.3 p90 30.24 97.62 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.884 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 47.68 22.18 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.842 -0.536 . . . . 0.0 109.995 -178.73 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.631 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -106.19 -103.36 2.87 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.425 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER 173.08 69.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.673 0 CA-C-O 121.229 0.538 . . . . 0.0 112.045 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.597 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 21.7 m-85 29.36 -59.81 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.484 1.291 . . . . 0.0 114.484 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.837 ' N ' ' O ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER 91.75 -168.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 15' ' ' ARG . 0.6 OUTLIER -40.67 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.27 -178.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 165.23 137.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.032 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.58 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 177.94 -167.26 0.06 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.69 0.281 . . . . 0.0 110.674 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.314 179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -68.51 -151.92 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.555 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -119.58 -125.0 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.049 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.74 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -176.75 -46.77 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.305 -0.247 . . . . 0.0 110.716 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' PHE . 26.4 mmt180 -165.96 -98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.318 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.805 ' O ' ' N ' ' A' ' 8' ' ' TYR . 53.4 t 59.44 -79.33 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.512 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.243 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.687 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 45.81 -63.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.237 0.542 . . . . 0.0 112.092 178.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.805 ' N ' ' O ' ' A' ' 6' ' ' VAL . 48.7 p90 41.7 88.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 124.239 1.015 . . . . 0.0 112.937 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER 37.54 32.68 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.697 0.76 . . . . 0.0 109.46 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.13 -95.12 1.92 Allowed Glycine 0 N--CA 1.428 -1.865 0 CA-C-N 114.525 -1.216 . . . . 0.0 112.123 -177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.686 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 176.41 48.97 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.842 0.83 . . . . 0.0 111.538 179.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 5.4 m-85 45.66 -68.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.686 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 91.78 71.45 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.978 0.511 . . . . 0.0 112.236 179.182 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -93.16 -140.96 0.21 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.136 179.321 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.54 35.21 20.25 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.224 -0.297 . . . . 0.0 111.252 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 2.3 p90 -64.27 -34.94 79.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.878 0.37 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.925 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.928 0.394 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.6 p-90 -110.36 -7.82 14.76 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.592 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 40.25 -102.47 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.005 179.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.562 ' HD1' ' N ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER 175.99 -119.23 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.258 -0.276 . . . . 0.0 110.259 -177.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.562 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 4.5 mtm180 -57.42 -71.52 0.1 Allowed 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.208 0.528 . . . . 0.0 109.933 178.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 6' ' ' VAL . 21.3 t 49.43 21.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.822 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -87.64 -24.76 23.83 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.581 -177.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.598 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 1.2 p90 25.51 52.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER 92.05 23.57 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.052 0.541 . . . . 0.0 111.007 -179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -103.88 -99.13 2.53 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.617 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.683 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -175.97 53.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.556 0.693 . . . . 0.0 111.618 179.221 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 17.0 m-85 42.99 -66.09 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 178.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.683 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER 87.16 168.45 0.06 Allowed 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 122.579 0.352 . . . . 0.0 111.098 179.721 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.46 113.39 24.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.6 mtm105 62.66 -80.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 40.5 p90 -136.94 -44.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.966 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.454 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 1.4 ttt180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.77 0.319 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.672 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.8 p-90 -119.94 -14.4 8.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.217 0.532 . . . . 0.0 111.892 -179.463 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 2' ' ' TRP . 9.4 p90 42.6 -137.53 0.26 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.234 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.836 ' CZ ' HG23 ' A' ' 6' ' ' VAL . 2.4 p90 -177.16 -51.51 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 117.777 0.262 . . . . 0.0 110.699 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.685 ' O ' ' N ' ' A' ' 7' ' ' TYR . 11.6 mmt180 -160.2 -96.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.776 179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.978 ' O ' ' N ' ' A' ' 8' ' ' TYR . 40.7 t 45.64 -75.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.822 0 C-N-CA 122.741 0.416 . . . . 0.0 111.003 -178.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.79 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 24.85 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.298 0.999 . . . . 0.0 112.425 178.177 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.978 ' N ' ' O ' ' A' ' 6' ' ' VAL . 55.1 p90 40.47 88.07 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.888 178.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 10.3 ptt-85 42.18 30.2 0.18 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.479 0.657 . . . . 0.0 109.856 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.602 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -116.57 -94.81 1.86 Allowed Glycine 0 N--CA 1.427 -1.902 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.448 -178.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 174.58 56.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.606 0.717 . . . . 0.0 112.008 179.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.79 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 15.2 m-85 42.05 -66.76 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.317 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 87.6 -20.09 0.22 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 178.546 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' HA ' ' CD1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 66.6 138.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.444 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.74 ' O ' ' HB3' ' A' ' 16' ' ' TYR . 7.0 mmm180 -146.5 -72.44 0.23 Allowed 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 138.93 -0.96 0.0 OUTLIER 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.128 0.571 . . . . 0.0 111.068 -177.813 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.144 -179.199 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.687 0.279 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.778 ' CH2' ' HB3' ' A' ' 4' ' ' PHE . 6.5 p-90 -100.43 -146.0 0.34 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.654 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.759 ' O ' ' CZ3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.55 142.13 20.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HB3' ' CH2' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -154.1 -55.86 0.11 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.78 -1.555 . . . . 0.0 108.337 178.19 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 7' ' ' TYR . 5.0 mmm180 -153.93 -76.52 0.11 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.465 178.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' ' N ' ' A' ' 8' ' ' TYR . 98.6 t 48.04 -81.01 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.78 -179.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 51.79 -60.67 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.783 0 O-C-N 123.593 0.558 . . . . 0.0 111.447 179.793 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.764 ' N ' ' O ' ' A' ' 6' ' ' VAL . 11.9 p90 33.45 85.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.389 1.076 . . . . 0.0 113.087 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 7.7 ptm180 44.09 28.62 0.28 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.78 0.8 . . . . 0.0 109.65 -179.365 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.689 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -109.14 -91.67 2.17 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.572 -179.188 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 162.48 56.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 123.215 0.606 . . . . 0.0 109.682 179.404 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 14.6 m-85 41.16 -59.05 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.772 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER 92.5 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 178.413 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.438 ' O ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -115.93 91.63 3.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.567 179.77 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.695 ' HA ' ' CD2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 49.22 169.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.345 -179.864 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' C ' ' O ' ' A' ' 15' ' ' ARG . 14.1 p90 3.09 -61.9 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.335 -0.84 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.901 0.381 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.36 -140.73 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 179.735 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.774 ' O ' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.88 30.69 1.06 Allowed 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.896 -0.138 . . . . 0.0 111.078 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 32.91 -66.7 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.594 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.774 ' N ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -140.41 -68.51 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.228 0.537 . . . . 0.0 109.692 179.249 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.878 ' O ' ' N ' ' A' ' 8' ' ' TYR . 42.9 t 51.93 -82.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.001 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.727 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 23.05 -58.72 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 179.038 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.878 ' N ' ' O ' ' A' ' 6' ' ' VAL . 1.1 p90 34.94 -124.81 0.11 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 123.953 0.901 . . . . 0.0 110.415 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -73.28 57.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 177.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.584 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -137.71 -105.46 0.71 Allowed Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.64 -0.709 . . . . 0.0 114.278 -177.539 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.851 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 169.65 75.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.237 -0.481 . . . . 0.0 110.792 -178.651 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' C ' ' O ' ' A' ' 11' ' ' ILE . 39.9 m-85 0.55 92.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.658 0.742 . . . . 0.0 111.285 -179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -76.27 -68.52 0.58 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.207 -177.465 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -57.44 -159.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.502 -179.228 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 6.2 mmm180 80.84 99.3 0.06 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 7.6 p90 -48.92 -29.69 5.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.375 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' A' ' 4' ' ' PHE . 0.3 OUTLIER -63.18 -141.46 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.175 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.85 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -141.47 28.39 1.83 Allowed 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 116.892 -0.14 . . . . 0.0 111.363 -179.728 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER 9.77 -126.89 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' HB3' ' CE1' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -67.43 -64.06 0.93 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.316 0.579 . . . . 0.0 112.536 -179.389 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 3' ' ' TYR . 56.1 t 70.6 -89.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.485 -177.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.857 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 49.41 -62.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.751 0.786 . . . . 0.0 112.672 177.621 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.825 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.4 p90 58.12 -64.38 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.763 -178.459 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -155.15 28.97 0.4 Allowed 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.292 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.753 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -112.53 -81.29 1.09 Allowed Glycine 0 N--CA 1.434 -1.463 0 CA-C-N 114.631 -1.168 . . . . 0.0 113.353 -178.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.753 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 166.27 54.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-O 121.854 0.835 . . . . 0.0 112.037 -179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.857 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 11.8 m-85 42.07 -64.23 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 177.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 84.24 -70.65 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.963 0.411 . . . . 0.0 111.362 179.612 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' NH1' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -142.86 -176.66 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.642 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -170.35 33.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CD2' ' N ' ' A' ' 17' ' ' ARG . 8.1 p90 -159.73 -159.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' N ' ' CD2' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.238 -0.886 . . . . 0.0 111.323 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.939 0.399 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.59 ' CZ2' ' HA ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -150.75 -139.2 0.09 Allowed 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.549 -179.747 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.782 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 25.2 p90 -114.99 -17.97 11.36 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 -179.005 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.782 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 1.7 p90 63.93 -165.22 0.24 Allowed 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' N ' ' HD1' ' A' ' 4' ' ' PHE . 3.8 mmm180 -30.84 -81.43 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.328 -179.372 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 6' ' ' VAL . 48.6 t 52.48 26.68 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 110.463 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -97.86 -32.09 11.88 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.016 -177.504 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.812 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 44.75 -82.92 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.848 -177.594 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 7' ' ' TYR . 3.1 ptm85 -125.44 37.2 4.42 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 177.49 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -108.21 -82.47 1.44 Allowed Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 114.892 -1.049 . . . . 0.0 112.934 -178.608 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.801 ' C ' HD12 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 166.26 57.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 179.782 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.2 m-85 34.16 -62.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.76 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER 90.52 -38.63 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 122.957 0.503 . . . . 0.0 111.488 179.179 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 169.33 164.16 0.05 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.932 0.396 . . . . 0.0 111.227 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HA ' ' CH2' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -152.61 108.24 3.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.621 179.687 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -115.43 -161.5 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.708 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.77 179.369 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.827 0.346 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -63.06 -145.36 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' C ' ' HD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -146.24 8.89 1.08 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.397 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 22.58 -138.78 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.854 0.461 . . . . 0.0 112.092 179.767 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 7' ' ' TYR . 58.3 mmt-85 -57.13 -79.61 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 122.129 -0.357 . . . . 0.0 110.405 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.838 ' O ' ' N ' ' A' ' 8' ' ' TYR . 44.4 t 56.97 -72.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.594 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.726 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 40.57 -61.9 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.16 0.913 . . . . 0.0 112.754 178.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' A' ' 6' ' ' VAL . 2.9 p90 40.02 -78.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.458 0.703 . . . . 0.0 111.829 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' A' ' 7' ' ' TYR . 9.3 ptt85 -127.94 39.46 3.85 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.005 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.726 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -113.85 -106.23 2.7 Favored Glycine 0 N--CA 1.435 -1.368 0 CA-C-N 113.821 -1.536 . . . . 0.0 112.076 -178.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER 176.63 70.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.186 0.517 . . . . 0.0 110.302 179.433 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.612 ' C ' ' O ' ' A' ' 11' ' ' ILE . 32.7 m-85 3.35 90.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.741 0.781 . . . . 0.0 111.591 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -70.17 108.84 4.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.344 -177.874 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.24 130.85 16.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.379 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -58.6 157.18 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -144.34 -162.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.971 179.631 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.499 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -62.09 -147.92 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.871 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -109.92 -88.48 0.5 Allowed 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.191 178.825 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.654 ' C ' ' HG2' ' A' ' 5' ' ' ARG . 1.3 p90 164.3 -50.21 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.097 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.654 ' HG2' ' C ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -172.52 28.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 123.811 0.844 . . . . 0.0 109.198 -177.14 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' CG2' ' CE1' ' A' ' 4' ' ' PHE . 90.3 t -74.35 129.64 36.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.143 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.859 ' HB2' ' H ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -169.27 -29.17 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.635 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.752 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 61.17 -81.01 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.32 0.581 . . . . 0.0 110.339 -179.801 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' TYR . 5.9 ptm180 -120.96 -9.53 9.22 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.152 178.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.723 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -66.1 -99.21 0.02 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.993 179.862 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.859 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER 163.38 75.54 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.799 ' CD1' ' HD2' ' A' ' 7' ' ' TYR . 13.4 m-30 38.88 -69.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 177.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.723 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 89.22 179.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.855 0.36 . . . . 0.0 111.413 -179.676 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.81 147.69 31.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -97.06 -71.68 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 17' ' ' ARG . 37.0 p90 -123.59 -43.06 2.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CD1' ' A' ' 16' ' ' TYR . 3.6 ptp85 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 3.1 p-90 -82.5 -151.31 0.1 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.426 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -153.61 -95.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.814 -0.175 . . . . 0.0 111.1 179.398 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 163.99 -106.13 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.318 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 7' ' ' TYR . 1.1 mmm-85 -60.15 -82.06 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.516 0.198 . . . . 0.0 110.579 178.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.868 ' O ' ' N ' ' A' ' 8' ' ' TYR . 85.0 t 42.27 -72.55 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.234 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.768 179.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.763 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 25.79 -59.65 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 178.711 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.868 ' N ' ' O ' ' A' ' 6' ' ' VAL . 46.0 p90 45.72 -142.52 0.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -176.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.75 59.88 1.63 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.387 177.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA3' ' OH ' ' A' ' 13' ' ' TYR . . . -127.49 -96.53 0.93 Allowed Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.317 -178.825 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.1 OUTLIER 171.63 66.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 179.604 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.651 ' N ' ' HB2' ' A' ' 7' ' ' TYR . 31.7 m-85 7.08 99.75 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.183 0.515 . . . . 0.0 111.972 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' OH ' ' HA3' ' A' ' 10' ' ' GLY . 0.2 OUTLIER -92.6 -162.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.068 -177.642 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -139.42 -155.52 0.6 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.414 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -26.65 2.57 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.695 0.283 . . . . 0.0 111.41 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 19.3 p90 -132.23 -48.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 1.5 mmt180 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.992 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.802 0.334 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.026 ' CE3' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -92.74 -139.74 0.2 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.825 ' CD2' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER 172.91 127.66 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.474 0.654 . . . . 0.0 111.142 174.326 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -26.46 -95.35 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.189 -1.368 . . . . 0.0 112.152 179.503 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 6.4 mtp180 -104.76 -66.47 0.96 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.535 0.683 . . . . 0.0 110.865 179.598 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.877 ' O ' ' N ' ' A' ' 8' ' ' TYR . 38.8 t 65.83 -89.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.714 -179.293 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.894 ' HB2' ' H ' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 43.21 -62.88 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.677 0.751 . . . . 0.0 112.912 177.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.877 ' N ' ' O ' ' A' ' 6' ' ' VAL . 5.6 p90 56.7 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 126.194 1.798 . . . . 0.0 113.033 -178.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -154.41 30.14 0.43 Allowed 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.92 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.724 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -111.78 -84.57 1.44 Allowed Glycine 0 N--CA 1.433 -1.546 0 CA-C-N 114.248 -1.342 . . . . 0.0 113.328 -178.196 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.724 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 0.0 OUTLIER 167.02 55.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 121.642 0.734 . . . . 0.0 111.977 -179.881 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.894 ' H ' ' HB2' ' A' ' 7' ' ' TYR . 12.3 m-85 38.95 -61.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 178.106 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.705 ' N ' ' O ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER 87.64 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 179.054 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -130.83 31.7 4.46 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.17 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.552 ' O ' ' C ' ' A' ' 16' ' ' TYR . 5.8 mmm180 -72.44 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 119.322 -0.37 . . . . 0.0 110.144 179.534 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.839 ' HA ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -1.87 -115.28 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.325 0.65 . . . . 0.0 112.154 178.72 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' C ' ' O ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.889 . . . . 0.0 112.674 178.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.951 0.405 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -61.87 -148.86 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.694 ' O ' ' HB3' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -113.77 -82.56 0.6 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.339 179.374 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.741 ' CE1' HG22 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 130.94 -146.03 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.559 0.743 . . . . 0.0 109.922 -178.533 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -66.69 89.49 0.15 Allowed 'General case' 0 C--N 1.341 0.208 0 CA-C-O 120.968 0.413 . . . . 0.0 110.84 179.298 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.741 HG22 ' CE1' ' A' ' 4' ' ' PHE . 5.7 t -133.57 22.82 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.115 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.724 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -95.41 -19.18 20.11 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.102 -0.953 . . . . 0.0 112.413 -177.628 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.724 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER 46.63 -76.31 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 CA-C-O 121.108 0.48 . . . . 0.0 111.253 -177.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.71 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -137.53 31.49 2.57 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.541 179.119 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -100.65 -100.39 2.38 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.833 -0.621 . . . . 0.0 113.127 -178.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.73 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -171.22 48.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 121.869 0.842 . . . . 0.0 112.185 -179.799 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.518 ' C ' ' CG ' ' A' ' 13' ' ' TYR . 20.8 m-85 49.29 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 177.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.73 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 83.88 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.222 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 47.02 -79.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 178.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 82.88 -64.48 0.1 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.737 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 26.4 p90 -161.86 -45.79 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.165 -179.473 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 16' ' ' TYR . 18.2 tpp180 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.795 0.331 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' TYR . 2.0 p-90 -62.32 -155.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.692 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' HB2' HG21 ' A' ' 6' ' ' VAL . 1.8 p90 -161.25 117.37 2.18 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.222 0.534 . . . . 0.0 111.79 -179.732 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.542 ' HE1' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.08 -126.0 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.541 178.731 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 17.5 mtm105 -50.4 -97.51 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.311 -0.243 . . . . 0.0 110.955 179.505 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 3' ' ' TYR . 3.4 t 64.65 13.43 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.09 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -84.23 -25.33 29.54 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.587 -178.167 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.7 p90 29.01 53.89 0.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.151 0.796 . . . . 0.0 113.151 177.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER 89.14 17.85 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 122.678 0.391 . . . . 0.0 111.243 179.858 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TYR . . . -96.19 -97.71 1.82 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.775 179.657 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -174.84 52.7 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 CA-C-O 121.709 0.766 . . . . 0.0 111.508 179.113 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 16.9 m-85 43.35 -65.98 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.712 ' HE1' HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER 86.52 -51.02 0.06 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.879 0.371 . . . . 0.0 110.902 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.59 99.11 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.72 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -142.08 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.072 -179.852 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -3.38 58.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.539 179.809 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.841 -179.856 . . . . . . . . 0 0 . 1 stop_ save_